Exact Mass: 445.1709738
Exact Mass Matches: 445.1709738
Found 500 metabolites which its exact mass value is equals to given mass value 445.1709738
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Narceine
C23H27NO8 (445.17365820000003)
Narceine is found in opium poppy. Narceine is an alkaloid from Papaver somniferum (opium poppy C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist Narceine is a stilbenoid.
Tetrahydrofolic acid
Tetrahydrofolate is a soluble coenzyme (vitamin B9) that is synthesized de novo by plants and microorganisms, and absorbed from the diet by animals. It is composed of three distinct parts: a pterin ring, a p-ABA (p-aminobenzoic acid) and a polyglutamate chain with a number of residues varying between 1 and 8. Only the tetra-reduced form of the molecule serves as a coenzyme for C1 transfer reactions. In biological systems, the C1-units exist under various oxidation states and the different tetrahydrofolate derivatives constitute a family of related molecules named indistinctly under the generic term folate. (PMID 16042593). Folate is important for cells and tissues that rapidly divide. Cancer cells divide rapidly, and drugs that interfere with folate metabolism are used to treat cancer. Methotrexate is a drug often used to treat cancer because it inhibits the production of the active form, tetrahydrofolate. Unfortunately, methotrexate can be toxic, producing side effects such as inflammation in the digestive tract that make it difficult to eat normally. -- Wikipedia; Signs of folic acid deficiency are often subtle. Diarrhea, loss of appetite, and weight loss can occur. Additional signs are weakness, sore tongue, headaches, heart palpitations, irritability, and behavioral disorders. Women with folate deficiency who become pregnant are more likely to give birth to low birth weight and premature infants, and infants with neural tube defects. In adults, anemia is a sign of advanced folate deficiency. In infants and children, folate deficiency can slow growth rate. Some of these symptoms can also result from a variety of medical conditions other than folate deficiency. It is important to have a physician evaluate these symptoms so that appropriate medical care can be given. -- Wikipedia; Folinic acid is a form of folate that can help rescue or reverse the toxic effects of methotrexate. Folinic acid is not the same as folic acid. Folic acid supplements have little established role in cancer chemotherapy. There have been cases of severe adverse effects of accidental substitution of folic acid for folinic acid in patients receiving methotrexate cancer chemotherapy. It is important for anyone receiving methotrexate to follow medical advice on the use of folic or folinic acid supplements. -- Wikipedia. Low concentrations of folate, vitamin B12, or vitamin B6 may increase the level of homocysteine, an amino acid normally found in blood. There is evidence that an elevated homocysteine level is an independent risk factor for heart disease and stroke. The evidence suggests that high levels of homocysteine may damage coronary arteries or make it easier for blood clotting cells called platelets to clump together and form a clot. However, there is currently no evidence available to suggest that lowering homocysteine with vitamins will reduce your risk of heart disease. Clinical intervention trials are needed to determine whether supplementation with folic acid, vitamin B12 or vitamin B6 can lower your risk of developing coronary heart disease. -- Wikipedia. Tetrahydrofolate is a soluble coenzyme (vitamin B9) that is synthesized de novo by plants and microorganisms, and absorbed from the diet by animals. It is composed of three distinct parts: a pterin ring, a p-ABA (p-aminobenzoic acid) and a polyglutamate chain with a number of residues varying between 1 and 8. Only the tetra-reduced form of the molecule serves as a coenzyme for C1 transfer reactions. In biological systems, the C1-units exist under various oxidation states and the different tetrahydrofolate derivatives constitute a family of related molecules named indistinctly under the generic term folate. (PMID 16042593)
Fumiquinazoline A
C24H23N5O4 (445.17499580000003)
A fumiquinazoline that consists of imidazoindole and pyrazinoquinazoline units connected by a methylene group.
tridihexethyl iodide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
cerdulatinib
C20H27N7O3S (445.1895992000001)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Tak-593
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
glipizide
C21H27N5O4S (445.1783662000001)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4274; ORIGINAL_PRECURSOR_SCAN_NO 4271 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4287; ORIGINAL_PRECURSOR_SCAN_NO 4286 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4253; ORIGINAL_PRECURSOR_SCAN_NO 4250 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4272; ORIGINAL_PRECURSOR_SCAN_NO 4269 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4267; ORIGINAL_PRECURSOR_SCAN_NO 4265 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4263; ORIGINAL_PRECURSOR_SCAN_NO 4262 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8486; ORIGINAL_PRECURSOR_SCAN_NO 8483 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8521; ORIGINAL_PRECURSOR_SCAN_NO 8519 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8531; ORIGINAL_PRECURSOR_SCAN_NO 8530 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8569; ORIGINAL_PRECURSOR_SCAN_NO 8565 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8574; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8577; ORIGINAL_PRECURSOR_SCAN_NO 8573
Dehydroaripiprazole
Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole. Aripiprazole is an antipsychotic agent and is metabolized by CYP3A4 and CYP2D6 forming mainly Dehydroaripiprazole. Dehydroaripiprazole has with antipsychotic activity equivalent to Aripiprazole[1][2][3].
Glipizide
C21H27N5O4S (445.1783662000001)
Glipizide is only found in individuals that have used or taken this drug. It is an oral hypoglycemic agent which is rapidly absorbed and completely metabolized. [PubChem]Sulfonylureas likely bind to ATP-sensitive potassium-channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Depolarization stimulates calcium ion influx through voltage-sensitive calcium channels, raising intracellular concentrations of calcium ions, which induces the secretion, or exocytosis, of insulin. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents
Lucuminamide
C19H27NO11 (445.15840319999995)
Lucuminamide is found in fruits. Lucuminamide is a constituent of Calocarpum sapota (marmelade plum)
N-Oxide abiraterone sulfate
C24H31NO5S (445.19228360000005)
N-Oxide abiraterone sulfate is a metabolite of abiraterone. Abiraterone is a drug used in castration-resistant prostate cancer (formerly hormone-resistant or hormone-refractory prostate cancer) (prostate cancer not responding to androgen deprivation or treatment with antiandrogens). It is formulated as the prodrug abiraterone acetate and marketed under the trade name Zytiga. After an expedited six-month review, abiraterone was approved by the U.S. Food and Drug Administration (FDA) in April 2011. (Wikipedia)
5,6,7,8-Tetrahydrofolic acid
Tetrahydrofolate is a soluble coenzyme (vitamin B9) that is synthesized de novo by plants and microorganisms, and absorbed from the diet by animals. It is composed of three distinct parts: a pterin ring, a p-ABA (p-aminobenzoic acid) and a polyglutamate chain with a number of residues varying between 1 and 8. Only the tetra-reduced form of the molecule serves as a coenzyme for C1 transfer reactions. In biological systems, the C1-units exist under various oxidation states and the different tetrahydrofolate derivatives constitute a family of related molecules named indistinctly under the generic term folate. (PMID 16042593)
Dibutyryl cyclic 3',5'-cytidine monophosphate
Dehydroaripiprazole
Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole. Aripiprazole is an antipsychotic agent and is metabolized by CYP3A4 and CYP2D6 forming mainly Dehydroaripiprazole. Dehydroaripiprazole has with antipsychotic activity equivalent to Aripiprazole[1][2][3].
Glisentide
C22H27N3O5S (445.1671332000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
Metopimazine
C22H27N3O3S2 (445.14937520000007)
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
O-Demethyl apixaban
C24H23N5O4 (445.17499580000003)
P-Hydroxyhippuryl-his-leu-OH
C21H27N5O6 (445.19612420000004)
N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide
tetrahydrofolate
Tetrahydrofolic acid, also known as (6s)-tetrahydrofolate or (6s)-thfa, belongs to glutamic acid and derivatives class of compounds. Those are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Tetrahydrofolic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Tetrahydrofolic acid can be found in a number of food items such as malabar plum, parsnip, white lupine, and alpine sweetvetch, which makes tetrahydrofolic acid a potential biomarker for the consumption of these food products. Tetrahydrofolic acid may be a unique S.cerevisiae (yeast) metabolite. Tetrahydrofolic acid is a drug which is used for nutritional supplementation, also for treating dietary shortage or imbalance. Tetrahydrofolate is transported across cells by receptor-mediated endocytosis where it is needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids, methylate tRNA, and generate and use formate (DrugBank). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(5R)-3-methyl-2(5H)furanone-(5->6)-(6S)-5,6-dihydrochelerythrine|maclekarpine A
Ala Ile Asn Glu
Ile Ala Gln Asp
Ala Val Gln Glu
Asn Ile Ala Glu
C24H23N5O4_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 1-methyl-4-[[(2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-methyl-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)
C24H23N5O4 (445.17499580000003)
C24H23N5O4_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 1-methyl-4-[[(2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-methyl-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)-, (Fumiquinazoline A)
C24H23N5O4 (445.17499580000003)
Metopimazine
C22H27N3O3S2 (445.14937520000007)
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
tetrahydrofolic acid
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ala Cys Pro Arg
C17H31N7O5S (445.21072760000004)
Ala Cys Arg Pro
C17H31N7O5S (445.21072760000004)
Ala Asp Ile Gln
Ala Asp Leu Gln
Ala Asp Gln Ile
Ala Asp Gln Leu
Ala Glu Ile Asn
Ala Glu Leu Asn
Ala Glu Asn Ile
Ala Glu Asn Leu
Ala Glu Gln Val
Ala Glu Val Gln
Ala Ile Asp Gln
Ala Ile Glu Asn
Ala Ile Gln Asp
Ala Leu Asp Gln
Ala Leu Glu Asn
Ala Leu Asn Glu
Ala Leu Gln Asp
Ala Met Pro Gln
C18H31N5O6S (445.19949460000004)
Ala Met Gln Pro
C18H31N5O6S (445.19949460000004)
Ala Asn Glu Ile
Ala Asn Glu Leu
Ala Asn Ile Glu
Ala Asn Leu Glu
Ala Asn Asn Gln
C16H27N7O8 (445.19210219999997)
Ala Asn Gln Asn
C16H27N7O8 (445.19210219999997)
Ala Pro Cys Arg
C17H31N7O5S (445.21072760000004)
Ala Pro Met Gln
C18H31N5O6S (445.19949460000004)
Ala Pro Gln Met
C18H31N5O6S (445.19949460000004)
Ala Pro Arg Cys
C17H31N7O5S (445.21072760000004)
Ala Gln Asp Ile
Ala Gln Asp Leu
Ala Gln Glu Val
Ala Gln Ile Asp
Ala Gln Leu Asp
Ala Gln Met Pro
C18H31N5O6S (445.19949460000004)
Ala Gln Asn Asn
C16H27N7O8 (445.19210219999997)
Ala Gln Pro Met
C18H31N5O6S (445.19949460000004)
Ala Gln Val Glu
Ala Arg Cys Pro
C17H31N7O5S (445.21072760000004)
Ala Arg Pro Cys
C17H31N7O5S (445.21072760000004)
Ala Val Glu Gln
Cys Ala Pro Arg
C17H31N7O5S (445.21072760000004)
Cys Ala Arg Pro
C17H31N7O5S (445.21072760000004)
Cys Ile Asn Pro
C18H31N5O6S (445.19949460000004)
Cys Ile Pro Asn
C18H31N5O6S (445.19949460000004)
Cys Leu Asn Pro
C18H31N5O6S (445.19949460000004)
Cys Leu Pro Asn
C18H31N5O6S (445.19949460000004)
Cys Asn Ile Pro
C18H31N5O6S (445.19949460000004)
Cys Asn Leu Pro
C18H31N5O6S (445.19949460000004)
Cys Asn Pro Ile
C18H31N5O6S (445.19949460000004)
Cys Asn Pro Leu
C18H31N5O6S (445.19949460000004)
Cys Pro Ala Arg
C17H31N7O5S (445.21072760000004)
Cys Pro Ile Asn
C18H31N5O6S (445.19949460000004)
Cys Pro Leu Asn
C18H31N5O6S (445.19949460000004)
Cys Pro Asn Ile
C18H31N5O6S (445.19949460000004)
Cys Pro Asn Leu
C18H31N5O6S (445.19949460000004)
Cys Pro Gln Val
C18H31N5O6S (445.19949460000004)
Cys Pro Arg Ala
C17H31N7O5S (445.21072760000004)
Cys Pro Val Gln
C18H31N5O6S (445.19949460000004)
Cys Gln Pro Val
C18H31N5O6S (445.19949460000004)
Cys Gln Val Pro
C18H31N5O6S (445.19949460000004)
Cys Arg Ala Pro
C17H31N7O5S (445.21072760000004)
Cys Arg Pro Ala
C17H31N7O5S (445.21072760000004)
Cys Val Pro Gln
C18H31N5O6S (445.19949460000004)
Cys Val Gln Pro
C18H31N5O6S (445.19949460000004)
Asp Ala Ile Gln
Asp Ala Leu Gln
Asp Ala Gln Ile
Asp Ala Gln Leu
Asp Ile Ala Gln
Asp Ile Gln Ala
Asp Lys Pro Ser
Asp Lys Ser Pro
Asp Leu Ala Gln
Asp Leu Gln Ala
Asp Asn Pro Thr
C17H27N5O9 (445.18086919999996)
Asp Asn Thr Pro
C17H27N5O9 (445.18086919999996)
Asp Asn Val Val
Asp Pro Lys Ser
Asp Pro Asn Thr
C17H27N5O9 (445.18086919999996)
Asp Pro Gln Ser
C17H27N5O9 (445.18086919999996)
Asp Pro Ser Lys
Asp Pro Ser Gln
C17H27N5O9 (445.18086919999996)
Asp Pro Thr Asn
C17H27N5O9 (445.18086919999996)
Asp Gln Ala Ile
Asp Gln Ala Leu
Asp Gln Pro Ser
C17H27N5O9 (445.18086919999996)
Asp Gln Ser Pro
C17H27N5O9 (445.18086919999996)
Asp Ser Pro Gln
C17H27N5O9 (445.18086919999996)
Asp Ser Gln Pro
C17H27N5O9 (445.18086919999996)
Asp Thr Asn Pro
C17H27N5O9 (445.18086919999996)
Asp Thr Pro Asn
C17H27N5O9 (445.18086919999996)
Glu Asn Pro Ser
C17H27N5O9 (445.18086919999996)
Glu Asn Ser Pro
C17H27N5O9 (445.18086919999996)
Glu Pro Asn Ser
C17H27N5O9 (445.18086919999996)
Glu Pro Ser Asn
C17H27N5O9 (445.18086919999996)
Glu Ser Asn Pro
C17H27N5O9 (445.18086919999996)
Glu Ser Pro Asn
C17H27N5O9 (445.18086919999996)
Gly Asn Gln Gln
C16H27N7O8 (445.19210219999997)
Gly Pro Ser Trp
C21H27N5O6 (445.19612420000004)
Gly Pro Trp Ser
C21H27N5O6 (445.19612420000004)
Gly Gln Asn Gln
C16H27N7O8 (445.19210219999997)
Gly Gln Gln Asn
C16H27N7O8 (445.19210219999997)
Gly Ser Pro Trp
C21H27N5O6 (445.19612420000004)
Gly Ser Trp Pro
C21H27N5O6 (445.19612420000004)
Gly Trp Pro Ser
C21H27N5O6 (445.19612420000004)
Gly Trp Ser Pro
C21H27N5O6 (445.19612420000004)
Ile Cys Asn Pro
C18H31N5O6S (445.19949460000004)
Ile Cys Pro Asn
C18H31N5O6S (445.19949460000004)
Ile Asn Cys Pro
C18H31N5O6S (445.19949460000004)
Ile Asn Pro Cys
C18H31N5O6S (445.19949460000004)
Ile Pro Cys Asn
C18H31N5O6S (445.19949460000004)
Ile Pro Asn Cys
C18H31N5O6S (445.19949460000004)
Leu Cys Asn Pro
C18H31N5O6S (445.19949460000004)
Leu Cys Pro Asn
C18H31N5O6S (445.19949460000004)
Leu Asn Cys Pro
C18H31N5O6S (445.19949460000004)
Leu Asn Pro Cys
C18H31N5O6S (445.19949460000004)
Leu Pro Cys Asn
C18H31N5O6S (445.19949460000004)
Leu Pro Asn Cys
C18H31N5O6S (445.19949460000004)
Met Ala Pro Gln
C18H31N5O6S (445.19949460000004)
Met Ala Gln Pro
C18H31N5O6S (445.19949460000004)
Met Pro Ala Gln
C18H31N5O6S (445.19949460000004)
Met Pro Gln Ala
C18H31N5O6S (445.19949460000004)
Met Gln Ala Pro
C18H31N5O6S (445.19949460000004)
Met Gln Pro Ala
C18H31N5O6S (445.19949460000004)
Asn Ala Asn Gln
C16H27N7O8 (445.19210219999997)
Asn Ala Gln Asn
C16H27N7O8 (445.19210219999997)
Asn Cys Ile Pro
C18H31N5O6S (445.19949460000004)
Asn Cys Leu Pro
C18H31N5O6S (445.19949460000004)
Asn Cys Pro Ile
C18H31N5O6S (445.19949460000004)
Asn Cys Pro Leu
C18H31N5O6S (445.19949460000004)
Asn Asp Pro Thr
C17H27N5O9 (445.18086919999996)
Asn Asp Thr Pro
C17H27N5O9 (445.18086919999996)
Asn Glu Pro Ser
C17H27N5O9 (445.18086919999996)
Asn Glu Ser Pro
C17H27N5O9 (445.18086919999996)
Asn Gly Gln Gln
C16H27N7O8 (445.19210219999997)
Asn Ile Cys Pro
C18H31N5O6S (445.19949460000004)
Asn Ile Pro Cys
C18H31N5O6S (445.19949460000004)
Asn Leu Cys Pro
C18H31N5O6S (445.19949460000004)
Asn Leu Pro Cys
C18H31N5O6S (445.19949460000004)
Asn Asn Ala Gln
C16H27N7O8 (445.19210219999997)
Asn Asn Gln Ala
C16H27N7O8 (445.19210219999997)
Asn Pro Cys Ile
C18H31N5O6S (445.19949460000004)
Asn Pro Cys Leu
C18H31N5O6S (445.19949460000004)
Asn Pro Asp Thr
C17H27N5O9 (445.18086919999996)
Asn Pro Glu Ser
C17H27N5O9 (445.18086919999996)
Asn Pro Ile Cys
C18H31N5O6S (445.19949460000004)
Asn Pro Leu Cys
C18H31N5O6S (445.19949460000004)
Asn Pro Ser Glu
C17H27N5O9 (445.18086919999996)
Asn Pro Thr Asp
C17H27N5O9 (445.18086919999996)
Asn Gln Ala Asn
C16H27N7O8 (445.19210219999997)
Asn Gln Gly Gln
C16H27N7O8 (445.19210219999997)
Asn Gln Asn Ala
C16H27N7O8 (445.19210219999997)
Asn Gln Gln Gly
C16H27N7O8 (445.19210219999997)
Asn Ser Glu Pro
C17H27N5O9 (445.18086919999996)
Asn Ser Pro Glu
C17H27N5O9 (445.18086919999996)
Asn Thr Asp Pro
C17H27N5O9 (445.18086919999996)
Asn Thr Pro Asp
C17H27N5O9 (445.18086919999996)
Pro Ala Cys Arg
C17H31N7O5S (445.21072760000004)
Pro Ala Met Gln
C18H31N5O6S (445.19949460000004)
Pro Ala Gln Met
C18H31N5O6S (445.19949460000004)
Pro Ala Arg Cys
C17H31N7O5S (445.21072760000004)
Pro Cys Ala Arg
C17H31N7O5S (445.21072760000004)
Pro Cys Ile Asn
C18H31N5O6S (445.19949460000004)
Pro Cys Leu Asn
C18H31N5O6S (445.19949460000004)
Pro Cys Asn Ile
C18H31N5O6S (445.19949460000004)
Pro Cys Asn Leu
C18H31N5O6S (445.19949460000004)
Pro Cys Gln Val
C18H31N5O6S (445.19949460000004)
Pro Cys Arg Ala
C17H31N7O5S (445.21072760000004)
Pro Cys Val Gln
C18H31N5O6S (445.19949460000004)
Pro Asp Asn Thr
C17H27N5O9 (445.18086919999996)
Pro Asp Gln Ser
C17H27N5O9 (445.18086919999996)
Pro Asp Ser Gln
C17H27N5O9 (445.18086919999996)
Pro Asp Thr Asn
C17H27N5O9 (445.18086919999996)
Pro Glu Asn Ser
C17H27N5O9 (445.18086919999996)
Pro Glu Ser Asn
C17H27N5O9 (445.18086919999996)
Pro Gly Ser Trp
C21H27N5O6 (445.19612420000004)
Pro Gly Trp Ser
C21H27N5O6 (445.19612420000004)
Pro Ile Cys Asn
C18H31N5O6S (445.19949460000004)
Pro Ile Asn Cys
C18H31N5O6S (445.19949460000004)
Pro Leu Cys Asn
C18H31N5O6S (445.19949460000004)
Pro Leu Asn Cys
C18H31N5O6S (445.19949460000004)
Pro Met Ala Gln
C18H31N5O6S (445.19949460000004)
Pro Met Gln Ala
C18H31N5O6S (445.19949460000004)
Pro Asn Cys Ile
C18H31N5O6S (445.19949460000004)
Pro Asn Cys Leu
C18H31N5O6S (445.19949460000004)
Pro Asn Asp Thr
C17H27N5O9 (445.18086919999996)
Pro Asn Glu Ser
C17H27N5O9 (445.18086919999996)
Pro Asn Ile Cys
C18H31N5O6S (445.19949460000004)
Pro Asn Leu Cys
C18H31N5O6S (445.19949460000004)
Pro Asn Ser Glu
C17H27N5O9 (445.18086919999996)
Pro Asn Thr Asp
C17H27N5O9 (445.18086919999996)
Pro Gln Ala Met
C18H31N5O6S (445.19949460000004)
Pro Gln Cys Val
C18H31N5O6S (445.19949460000004)
Pro Gln Asp Ser
C17H27N5O9 (445.18086919999996)
Pro Gln Met Ala
C18H31N5O6S (445.19949460000004)
Pro Gln Ser Asp
C17H27N5O9 (445.18086919999996)
Pro Gln Val Cys
C18H31N5O6S (445.19949460000004)
Pro Arg Ala Cys
C17H31N7O5S (445.21072760000004)
Pro Arg Cys Ala
C17H31N7O5S (445.21072760000004)
Pro Ser Asp Gln
C17H27N5O9 (445.18086919999996)
Pro Ser Glu Asn
C17H27N5O9 (445.18086919999996)
Pro Ser Gly Trp
C21H27N5O6 (445.19612420000004)
Pro Ser Asn Glu
C17H27N5O9 (445.18086919999996)
Pro Ser Gln Asp
C17H27N5O9 (445.18086919999996)
Pro Ser Trp Gly
C21H27N5O6 (445.19612420000004)
Pro Thr Asp Asn
C17H27N5O9 (445.18086919999996)
Pro Thr Asn Asp
C17H27N5O9 (445.18086919999996)
Pro Val Cys Gln
C18H31N5O6S (445.19949460000004)
Pro Val Gln Cys
C18H31N5O6S (445.19949460000004)
Pro Trp Gly Ser
C21H27N5O6 (445.19612420000004)
Pro Trp Ser Gly
C21H27N5O6 (445.19612420000004)
Gln Ala Met Pro
C18H31N5O6S (445.19949460000004)
Gln Ala Asn Asn
C16H27N7O8 (445.19210219999997)
Gln Ala Pro Met
C18H31N5O6S (445.19949460000004)
Gln Cys Pro Val
C18H31N5O6S (445.19949460000004)
Gln Cys Val Pro
C18H31N5O6S (445.19949460000004)
Gln Asp Pro Ser
C17H27N5O9 (445.18086919999996)
Gln Asp Ser Pro
C17H27N5O9 (445.18086919999996)
Gln Gly Asn Gln
C16H27N7O8 (445.19210219999997)
Gln Gly Gln Asn
C16H27N7O8 (445.19210219999997)
Gln Met Ala Pro
C18H31N5O6S (445.19949460000004)
Gln Met Pro Ala
C18H31N5O6S (445.19949460000004)
Gln Asn Ala Asn
C16H27N7O8 (445.19210219999997)
Gln Asn Gly Gln
C16H27N7O8 (445.19210219999997)
Gln Asn Asn Ala
C16H27N7O8 (445.19210219999997)
Gln Asn Gln Gly
C16H27N7O8 (445.19210219999997)
Gln Pro Ala Met
C18H31N5O6S (445.19949460000004)
Gln Pro Cys Val
C18H31N5O6S (445.19949460000004)
Gln Pro Asp Ser
C17H27N5O9 (445.18086919999996)
Gln Pro Met Ala
C18H31N5O6S (445.19949460000004)
Gln Pro Ser Asp
C17H27N5O9 (445.18086919999996)
Gln Pro Val Cys
C18H31N5O6S (445.19949460000004)
Gln Gln Gly Asn
C16H27N7O8 (445.19210219999997)
Gln Gln Asn Gly
C16H27N7O8 (445.19210219999997)
Gln Ser Asp Pro
C17H27N5O9 (445.18086919999996)
Gln Ser Pro Asp
C17H27N5O9 (445.18086919999996)
Gln Val Cys Pro
C18H31N5O6S (445.19949460000004)
Gln Val Pro Cys
C18H31N5O6S (445.19949460000004)
Arg Ala Cys Pro
C17H31N7O5S (445.21072760000004)
Arg Ala Pro Cys
C17H31N7O5S (445.21072760000004)
Arg Cys Ala Pro
C17H31N7O5S (445.21072760000004)
Arg Cys Pro Ala
C17H31N7O5S (445.21072760000004)
Arg Pro Ala Cys
C17H31N7O5S (445.21072760000004)
Arg Pro Cys Ala
C17H31N7O5S (445.21072760000004)
Ser Asp Pro Gln
C17H27N5O9 (445.18086919999996)
Ser Asp Gln Pro
C17H27N5O9 (445.18086919999996)
Ser Glu Asn Pro
C17H27N5O9 (445.18086919999996)
Ser Glu Pro Asn
C17H27N5O9 (445.18086919999996)
Ser Gly Pro Trp
C21H27N5O6 (445.19612420000004)
Ser Gly Trp Pro
C21H27N5O6 (445.19612420000004)
Ser Asn Glu Pro
C17H27N5O9 (445.18086919999996)
Ser Asn Pro Glu
C17H27N5O9 (445.18086919999996)
Ser Pro Asp Gln
C17H27N5O9 (445.18086919999996)
Ser Pro Glu Asn
C17H27N5O9 (445.18086919999996)
Ser Pro Gly Trp
C21H27N5O6 (445.19612420000004)
Ser Pro Asn Glu
C17H27N5O9 (445.18086919999996)
Ser Pro Gln Asp
C17H27N5O9 (445.18086919999996)
Ser Pro Trp Gly
C21H27N5O6 (445.19612420000004)
Ser Gln Asp Pro
C17H27N5O9 (445.18086919999996)
Ser Gln Pro Asp
C17H27N5O9 (445.18086919999996)
Ser Trp Gly Pro
C21H27N5O6 (445.19612420000004)
Ser Trp Pro Gly
C21H27N5O6 (445.19612420000004)
Thr Asp Asn Pro
C17H27N5O9 (445.18086919999996)
Thr Asp Pro Asn
C17H27N5O9 (445.18086919999996)
Thr Asn Asp Pro
C17H27N5O9 (445.18086919999996)
Thr Asn Pro Asp
C17H27N5O9 (445.18086919999996)
Thr Pro Asp Asn
C17H27N5O9 (445.18086919999996)
Thr Pro Asn Asp
C17H27N5O9 (445.18086919999996)
Val Cys Pro Gln
C18H31N5O6S (445.19949460000004)
Val Cys Gln Pro
C18H31N5O6S (445.19949460000004)
Val Pro Cys Gln
C18H31N5O6S (445.19949460000004)
Val Pro Gln Cys
C18H31N5O6S (445.19949460000004)
Val Gln Cys Pro
C18H31N5O6S (445.19949460000004)
Val Gln Pro Cys
C18H31N5O6S (445.19949460000004)
Trp Gly Pro Ser
C21H27N5O6 (445.19612420000004)
Trp Gly Ser Pro
C21H27N5O6 (445.19612420000004)
Trp Pro Gly Ser
C21H27N5O6 (445.19612420000004)
Trp Pro Ser Gly
C21H27N5O6 (445.19612420000004)
Trp Ser Gly Pro
C21H27N5O6 (445.19612420000004)
Trp Ser Pro Gly
C21H27N5O6 (445.19612420000004)
PC(6:2/6:2)
TyrMe-Lys-OH
C22H27N3O7 (445.18489120000004)
Lucuminamide
C19H27NO11 (445.15840319999995)
Tauro-18-carboxy-19,20-dinor-LTB
icos#3
A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E)-9-hydroxynon-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
[(1S)-1-[[(2-Fluoro-6-nitrobenzoyl)phenylamino]carbonyl]propyl]carbamic acid 1,1-dimethylethyl ester
3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-7-isoquinolinylcarbamoyl)b enzyl]benzamide
C26H27N3O4 (445.20014620000006)
magnesium 1,4-bis(2-ethylhexyl) 2-sulphonatosuccinate
4-phenyl-2-(piperazin-1-yl)thiazole
C27H27NO3S (445.17115520000004)
N4-BENZOYL-5-O-TERT-BUTYLDIMETHYLSILYL-2-DEOXYCYTIDINE
5-O-TBDMS-N4-Benzoyl-2-deoxycytidine is a modified nucleoside. 5-O-TBDMS-N4-Benzoyl-2-deoxycytidine can be used in the synthesis of deoxyribonucleic acid or nucleic acid.
Paroxetine maleate
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
1-Butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-,hydrochloride (1:1)
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-6-methylpyrazine-2-carboxamide
C21H27N5O4S (445.1783662000001)
6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile
C24H20ClN5O2 (445.13054500000004)
3-(5-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]PENTYLOXY)BENZOIC ACID
C27H27NO5 (445.18891320000006)
Thiopropazate
C23H28ClN3O2S (445.15906580000006)
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Thiourea, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(4-methoxyphenyl)-N-(3-pyridinylmethyl)- (9CI)
C25H27N5OS (445.19362120000005)
Thiourea, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(3-methoxyphenyl)-N-(3-pyridinylmethyl)- (9CI)
C25H27N5OS (445.19362120000005)
Thiourea, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(2-methoxyphenyl)-N-(3-pyridinylmethyl)- (9CI)
C25H27N5OS (445.19362120000005)
Thiazol-5-ylmethyl (2R,5R)-5-amino-1,6-diphenylhexan-2-ylcarbamate hydrochloride
C23H28ClN3O2S (445.15906580000006)
Selonsertib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
(2S,5S)-1-(4-(tert-butyl)phenyl)-2,5-bis(4-nitrophenyl)pyrrolidine
C26H27N3O4 (445.20014620000006)
Pyr-Pro-Val-pNA trifluoroacetate salt
C21H27N5O6 (445.19612420000004)
2-[[Methyl[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]amino]carbonyl]benzoic Acid
C26H23NO4S (445.13477180000007)
Loxapine succinate
C22H24ClN3O5 (445.14044040000005)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Loxapine succinate is an orally active dopamine inhibitor, 5-HT receptor antagonist and also a dibenzoxazepine anti-psychotic agent. Loxapine can also suppresses bacterial efflux pump activity and inhibit intracellular multiple-antibiotic-resistant Salmonella enterica serovar Typhimurium in macrophages[1][4][6].
4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
C21H19F4N7 (445.16379820000003)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
(1s,6r)-3-{[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[4,3-A]pyrazin-7(8h)-Yl]carbonyl}-6-(2,4,5-Trifluorophenyl)cyclohex-3-En-1-Amine
D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide
D000890 - Anti-Infective Agents > D023303 - Oxazolidinones SHA 68 is a potent and selective non-peptide neuropeptide S receptor (NPSR) antagonist with IC50s of 22.0 and 23.8 nM for NPSR Asn107 and NPSR Ile107, respectively. SHA 68 has limited the blood-brain barrier (BBB) penetration and the activity in neuralgia[1][2].
4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
C24H19N3O6 (445.12737940000005)
(2E)-9-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}non-2-enoic acid
N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide
(2E,8R)-8-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}non-2-enoic acid
4-(2-Aminoethoxy)-N-(3-Chloro-2-Ethoxy-5-Piperidin-1-Ylphenyl)-3,5-Dimethylbenzamide
C24H32ClN3O3 (445.21320720000006)
1-((1R)-1-(Hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1H-indol-1-YL}propyl)-1H-imidazole-4-carboxamide
(S)-2-(Phosphonoxy)caproyl-L-leucyl-P-nitroanilide
C18H28N3O8P (445.16139380000004)
N-[4-Chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro-
C23H25ClFN3O3 (445.15683820000004)
Glisentide
C22H27N3O5S (445.1671332000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
Narcein
C23H27NO8 (445.17365820000003)
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
N-coumaroyl tyramine-4-O-beta-D-glucoside
C23H27NO8 (445.17365820000003)
N-coumaroyl tyramine 4-O-beta-D-glucoside
C23H27NO8 (445.17365820000003)
[10,13-dimethyl-17-(1-oxidopyridin-1-ium-3-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
C24H31NO5S (445.19228360000005)
N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide
C25H20FN3O2S (445.12601920000003)
N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide
C25H20FN3O2S (445.12601920000003)
N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide
C25H20FN3O2S (445.12601920000003)
O-(pantetheine-4-phosphoryl)serine
C14H28N3O9PS (445.12838080000006)
A serine derivative in which L-serine is substituted on oxygen by a pantetheine 4-phosphate group.
2-Cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester
1-(1-tert-butyl-5-tetrazolyl)-N-[(4-chlorophenyl)methyl]-N-(2-oxolanylmethyl)-1-thiophen-2-ylmethanamine
C22H28ClN5OS (445.17029880000007)
2-(2,4-Dimethoxyphenyl)-5-methyl-4-[[4-(4-quinazolinyl)-1-piperazinyl]methyl]oxazole
5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-furanylmethyl)pentanamide
C22H27N3O5S (445.1671332000001)
2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-7-methoxyfuro[2,3-b]quinoline
C25H23N3O5 (445.16376280000003)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide
C22H27N3O5S (445.1671332000001)
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
C21H23N3O6S (445.13074980000005)
[5-[2-(3,4-Dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate
C25H23N3O5 (445.16376280000003)
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
2-(3-Chlorophenyl)-9-[4-(2-pyrazinyl)-1-piperazinyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea
C25H27N5OS (445.19362120000005)
N-[(E)-[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-indole-3-carboxamide
N-[(E)-(4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)amino]benzamide
C26H27N3O4 (445.20014620000006)
1-epijosephinine Trifluoroacetic acid
C20H22F3NO7 (445.13482980000003)
A natural product found in Crinum asiaticum var. sinicum.
8-methoxy-3-[(E)-[4-methoxy-3-(1-pyrrolidinylmethyl)phenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
2-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine butanedioic acid
C22H24ClN3O5 (445.14044040000005)
(2R,3R,3aS,9bS)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
(1R,9S,10S,11S)-10-(hydroxymethyl)-5-(4-methoxyphenyl)-12-methyl-6-oxo-N-phenyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C26H27N3O4 (445.20014620000006)
(2S,3S,3aR,9bR)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-[4-morpholinyl(oxo)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
(3R)-3-(2-hydroxyethyl)-N,N-dimethyl-2-(1-oxopropyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(1S,9R,10R,11R)-10-(hydroxymethyl)-5-(4-methoxyphenyl)-12-methyl-6-oxo-N-phenyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C26H27N3O4 (445.20014620000006)
[(2S,3S)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]-pyridin-2-ylmethanone
C24H26F3N3O2 (445.19770120000004)
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
C21H23N3O6S (445.13074980000005)
[(2R,3R)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]-pyridin-2-ylmethanone
C24H26F3N3O2 (445.19770120000004)
(1S,19S)-9,9,16,16-tetramethyl-14-oxido-8-oxa-23,25-diaza-14-azoniaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-2,4(13),5,7(12),10,14-hexaene-24,26-dione
C26H27N3O4 (445.20014620000006)
(1S,3S,12Z)-1-hydroxy-14,14,21,21-tetramethyl-22-oxa-5,11,16-triazahexacyclo[13.11.0.03,11.05,9.017,26.018,23]hexacosa-8,12,15,17(26),18(23),19,24-heptaene-4,10-dione
C26H27N3O4 (445.20014620000006)
icas#3
A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E,8R)-8-hydroxynon-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
estrone 3-O-(beta-D-glucuronide)(1-)
A steroid glucuronide anion that is the conjugate base of estrone 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
(6S)-5,6,7,8-tetrahydrofolic acid
A derivative of folic acid in which the pteridine ring is fully reduced; it is the parent compound of a variety of coenzymes that serve as carriers of one-carbon groups in metabolic reactions.
BPTU
BPTU (BMS-646786) is a non-nucleotide P2Y1 receptor allosteric antagonist with antithrombotic activity. BPTU is able to block the P2Y1 receptor located at the neuromuscular junction of the gastrointestinal tract[1][2].
PQR620
C21H25F2N7O2 (445.20376939999994)
PQR620 is an orally bioavailable and selective brain penetrant inhibitor of mTORC1/2[1]. PQR620 is an orally bioavailable and selective brain penetrant inhibitor of mTORC1/2[1].
Quipazine (dimaleate)
Quipazine dimaleate is a 5-HT agonist with a Ki value of 1.4 nM for displaces [3H]GR65630 from 5-HT3R in rat. Quipazine dimaleate shows antiviral activity against SARS-CoV-2 with an EC50 of 31.64 μM. Quipazine dimaleate behaves as a 5-HT3R antagonist in peripheral models. Quipazine dimaleate can be used for neurological disease research[1][2][3][4].
Samelisant
C21H33Cl2N3O3 (445.1898848000001)
Samelisant (SUVN-G3031) is a potent and selective histamine H3 receptor (H3R) inverse agonist with good brain penetration and oral bioavailability. Samelisant has a similar binding affinity towards human (hH3R; Ki=8.7 nM) and rat (rH3R;Ki=9.8 nM) H3R indicating no inter-species differences. Samelisant can be used for the research of sleep-related disorders[1].
2,4-dihydroxy-17-methyl-7-[6-methyl-5-(methylamino)oxan-2-yl]-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3(8),4,6-triene-9,13-dione
C23H27NO8 (445.17365820000003)
3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-{2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl}-1,4-dihydroxypyridin-2-one
3-[(1s,2s,4ar,6r,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1s,2r,5s,6s)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-1,4-dihydroxypyridin-2-one
5-{2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl}-3-(2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-1,4-dihydroxypyridin-2-one
(1s,3s)-1-hydroxy-14,14,21,21-tetramethyl-22-oxa-5,11,16-triazahexacyclo[13.11.0.0³,¹¹.0⁵,⁹.0¹⁷,²⁶.0¹⁸,²³]hexacosa-8,12,15,17(26),18(23),19,24-heptaene-4,10-dione
C26H27N3O4 (445.20014620000006)
(1s,9s,10s,13s)-6-[(1r,2r,4as,6r,8ar)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-1,4,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.0²,⁷]trideca-2,6-dien-5-one
1-hydroxy-14,14,21,21-tetramethyl-22-oxa-5,11,16-triazahexacyclo[13.11.0.0³,¹¹.0⁵,⁹.0¹⁷,²⁶.0¹⁸,²³]hexacosa-8,12,15,17(26),18(23),19,24-heptaene-4,10-dione
C26H27N3O4 (445.20014620000006)
(2s,9s,9as)-9-hydroxy-9-{[(1r,4r)-3-hydroxy-1-methyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
C24H23N5O4 (445.17499580000003)
6-[(2r,4r,5s,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5-hydroxy-1-[(1r)-1-hydroxyethyl]-3-methylnaphtho[2,3-c]thiophene-4,9-dione
C23H27NO6S (445.1559002000001)
5-{2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl}-3-(5-hydroxy-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)pyridine-2,4-diol
6-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5-hydroxy-1-(1-hydroxyethyl)-3-methylnaphtho[2,3-c]thiophene-4,9-dione
C23H27NO6S (445.1559002000001)
3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1s,2r,5s,6s)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-1,4-dihydroxypyridin-2-one
3-(aziridin-2-yl)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrotetraphene-1,6-dione
(2s,9s)-9-hydroxy-9-{[(1r,4r)-3-hydroxy-1-methyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
C24H23N5O4 (445.17499580000003)
6-(2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-1,4,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.0²,⁷]trideca-2,6-dien-5-one
1,5,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-trien-6-yl 2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
(5r,8s,9r)-8-benzoyl-6,9-dihydroxy-2-[(1s,2s)-1-hydroxy-2-methoxyhex-3-en-1-yl]-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
C23H27NO8 (445.17365820000003)
(2e,6e)-8-{2-[(1s)-1-carboxy-2-methylbutyl]-4,6-dihydroxy-1-oxo-3h-isoindol-5-yl}-2,6-dimethylocta-2,6-dienoic acid
(5r,8s,9r)-8-benzoyl-6,9-dihydroxy-2-[(1s,2s,3z)-1-hydroxy-2-methoxyhex-3-en-1-yl]-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
C23H27NO8 (445.17365820000003)
8-benzoyl-6,9-dihydroxy-2-(1-hydroxy-2-methoxyhex-3-en-1-yl)-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
C23H27NO8 (445.17365820000003)
3-[(1r,2r,4as,5s,6r,8ar)-5-hydroxy-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2s,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol
2-({8,11-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-7-yl}oxy)-6-methyloxane-3,4,5-triol
(5r)-5-[(20s)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl]-3-methyl-5h-furan-2-one
7-hydroxy-2-{[(3r)-11-hydroxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl]methyl}-5-(2-oxopropyl)chromen-4-one
(2r)-2-phenyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}ethanimidic acid
C19H27NO11 (445.15840319999995)
(2s,3r,4r,5r,6s)-2-{[(9bs,11r)-8,11-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-7-yl]oxy}-6-methyloxane-3,4,5-triol
(1s,17r,19r)-26-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaene-2,24-dione
C26H27N3O4 (445.20014620000006)
5-{2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl}-3-[6-(hydroxymethyl)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]pyridine-2,4-diol
(3r,4s,5r)-2-[(2s,3s,4r,5r)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-(methylsulfanyl)oxolan-3-yl]oxane-3,4,5-triol
3-[(1r,2r,4as,6r,8ar)-6-(hydroxymethyl)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2s,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol
26-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaene-2,24-dione
C26H27N3O4 (445.20014620000006)
(3r,4as,12br)-3-[(2s)-aziridin-2-yl]-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrotetraphene-1,6-dione
(1r,17s,19s)-26-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaene-2,24-dione
C26H27N3O4 (445.20014620000006)
9-[5-(dimethylamino)-6-methyloxan-2-yl]-1,8-dihydroxy-3-methyltetraphene-7,12-dione
C27H27NO5 (445.18891320000006)
(17s)-11-(acetyloxy)-5-methoxy-16-methyl-8-oxo-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-4-yl 3-hydroxybutanoate
C23H27NO8 (445.17365820000003)
[(7s,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s,3s)-2-hydroxy-3-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2-isopropylbutanoate
(2s,11s,15r,17r)-2,4-dihydroxy-17-methyl-7-[(2r,5s,6r)-6-methyl-5-(methylamino)oxan-2-yl]-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3(8),4,6-triene-9,13-dione
C23H27NO8 (445.17365820000003)
3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-2-(naphthalen-2-yl)-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-5-one
C30H23NO3 (445.16778480000005)
(2s,9s,9as)-9-hydroxy-9-{[(1s,4r)-3-hydroxy-1-methyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
C24H23N5O4 (445.17499580000003)
(1s,17s,19r)-26-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaene-2,24-dione
C26H27N3O4 (445.20014620000006)
(1r,9s,10s,13s)-1,5,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-trien-6-yl (1r,2r,4as,6r,8ar)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
(17s)-26-hydroxy-9,9,16,16-tetramethyl-24-oxo-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-2,4(13),5,7(12),10,14,25-heptaen-14-ium-14-olate
C26H27N3O4 (445.20014620000006)
9-[(2r,5s,6s)-5-(dimethylamino)-6-methyloxan-2-yl]-1,8-dihydroxy-3-methyltetraphene-7,12-dione
C27H27NO5 (445.18891320000006)
8-[2-(1-carboxy-2-methylbutyl)-4,6-dihydroxy-1-oxo-3h-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid
5-{17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}-3-methyl-5h-furan-2-one
2,5-dimethyl 3,4-bis(5-hydroxy-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylate
C24H19N3O6 (445.12737940000005)
(1s,10s,11s)-11-(acetyloxy)-5-methoxy-16-methyl-8-oxo-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-4-yl 3-hydroxybutanoate
C23H27NO8 (445.17365820000003)