Exact Mass: 445.1226824000001

Exact Mass Matches: 445.1226824000001

Found 132 metabolites which its exact mass value is equals to given mass value 445.1226824000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Tetrahydrofolic acid

2-{[4-({[(6S)-4-hydroxy-2-imino-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid

C19H23N7O6 (445.1709738)


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)

   

O-Hexanoyl-adnosine monophosphate

O-Hexanoyl-adnosine monophosphate

C16H24N5O8P (445.1362434)


   

Dehydroaripiprazole

7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2(1H)-one

C23H25Cl2N3O2 (445.132373)


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].

   

Lucuminamide

2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]ethanimidic acid

C19H27NO11 (445.15840319999995)


Lucuminamide is found in fruits. Lucuminamide is a constituent of Calocarpum sapota (marmelade plum)

   

5,6,7,8-Tetrahydrofolic acid

2-[(4-{[(4-hydroxy-2-imino-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

C19H23N7O6 (445.1709738)


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

6-[4-(Butanoylimino)-2-hydroxy-1,4-dihydropyrimidin-1-yl]-2-hydroxy-2-oxo-hexahydro-2-furo[3,2-D][1,3,2]dioxaphosphinin-7-yl butanoic acid

C17H24N3O9P (445.1250104)


   

Dehydroaripiprazole

7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2-dihydroquinolin-2-one

C23H25Cl2N3O2 (445.132373)


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

N-(2-(4-((((Cyclopentylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxybenzamide

C22H27N3O5S (445.1671332000001)


C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent

   

Metopimazine

1-[3-(2-Methanesulphonyl-10H-phenothiazin-10-yl)propyl]piperidine-4-carboximidic acid

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

   

tetrahydrofolate

(2S)-2-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

C19H23N7O6 (445.1709738)


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

   

Lycogarubin A

Lycogalic acid dimethyl ester C

C24H19N3O6 (445.12737940000005)


   
   
   
   

Nonyl glucosinolate

Nonyl glucosinolate

C16H31NO9S2 (445.1440156)


Annotation level-3

   
   

(5R)-3-methyl-2(5H)furanone-(5->6)-(6S)-5,6-dihydrochelerythrine|maclekarpine A

(5R)-3-methyl-2(5H)furanone-(5->6)-(6S)-5,6-dihydrochelerythrine|maclekarpine A

C26H23NO6 (445.1525298)


   
   

Metopimazine

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

L-5,6,7,8-Tetrahydrofolic acid

C19H23N7O6 (445.1709738)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

(6S)-5,6,7,8-tetrahydrofolate(2-)

(6S)-5,6,7,8-tetrahydrofolate(2-)

C19H23N7O6 (445.1709738)


   

p-Hydroxytriamterene glucuronide

p-Hydroxytriamterene glucuronide

C18H19N7O7 (445.1345904)


   

O-hexanoyl-adenosine monophosphate

O-hexanoyl-adenosine monophosphate

C16H24N5O8P (445.1362434)


   

Lucuminamide

2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetamide

C19H27NO11 (445.15840319999995)


   

AMP 6:0

O-hexanoyl-adenosine monophosphate

C16H24N5O8P (445.1362434)


   

[(1S)-1-[[(2-Fluoro-6-nitrobenzoyl)phenylamino]carbonyl]propyl]carbamic acid 1,1-dimethylethyl ester

[(1S)-1-[[(2-Fluoro-6-nitrobenzoyl)phenylamino]carbonyl]propyl]carbamic acid 1,1-dimethylethyl ester

C22H24FN3O6 (445.1649056)


   

1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride

1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride

C21H21Cl2N5O2 (445.1072226)


   

Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(2,4,5-trimethoxyphenyl)- (9CI)

Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(2,4,5-trimethoxyphenyl)- (9CI)

C22H23NO5S2 (445.1017588)


   

3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid

3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid

C20H19N3O7S (445.09436640000007)


   

4-phenyl-2-(piperazin-1-yl)thiazole

4-phenyl-2-(piperazin-1-yl)thiazole

C27H27NO3S (445.17115520000004)


   

Paroxetine maleate

Paroxetine maleate

C23H24FNO7 (445.1536726)


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)

1-Butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-,hydrochloride (1:1)

C22H24ClF4NO2 (445.1431602)


   

Thiazolidine, 2-(2,3-dihydro-1H-phenalen-6-yl)-3-(1-naphthalenylsulfonyl)- (9CI)

Thiazolidine, 2-(2,3-dihydro-1H-phenalen-6-yl)-3-(1-naphthalenylsulfonyl)- (9CI)

C26H23NO2S2 (445.1170138)


   

6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile

6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile

C24H20ClN5O2 (445.13054500000004)


   
   
   

spiclomazine

spiclomazine

C22H24ClN3OS2 (445.1049244)


C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Spiclomazine (Clospirazine) is a potent mutant KRAS(G12C) inhibitor that selectively inhibits mutant KRAS-driven pancreatic cancer. Spiclomazine can eliminate KRas-GTP levels in KRAS-driven pancreatic cancer and effectively inhibit RAS-mediated signaling. Spiclomazine significantly inhibits tumor progression in mouse renal capsule xenotransplantation models[1].

   

(S)-tert-butyl 1-(5-bromopyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-ylcarbamate

(S)-tert-butyl 1-(5-bromopyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-ylcarbamate

C21H24BrN3O3 (445.1000934)


   

Thiopropazate

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

   
   

Thiazol-5-ylmethyl (2R,5R)-5-amino-1,6-diphenylhexan-2-ylcarbamate hydrochloride

Thiazol-5-ylmethyl (2R,5R)-5-amino-1,6-diphenylhexan-2-ylcarbamate hydrochloride

C23H28ClN3O2S (445.15906580000006)


   
   
   

basmisanil

basmisanil

C21H20FN3O5S (445.11076420000006)


C78272 - Agent Affecting Nervous System Basmisanil (RG1662) is a highly selective orally active α subunit-containing GABAA receptors (GABAAα5) negative allosteric modulator (NAMs). Basmisanil can inhibit GABAA-α5 with a Ki value of 5 nM and IC50 value of 8 nM, respectively. Basmisanil can be used for the research of multiple cognitive and psychiatric disorders[1].

   
   

2-[[Methyl[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]amino]carbonyl]benzoic Acid

2-[[Methyl[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]amino]carbonyl]benzoic Acid

C26H23NO4S (445.13477180000007)


   

ethyl 5-(benzyloxy)-6-broMo-2-(3-hydroxypropyl)-1-Methyl-1H-indole-3-carboxylate

ethyl 5-(benzyloxy)-6-broMo-2-(3-hydroxypropyl)-1-Methyl-1H-indole-3-carboxylate

C22H24BrNO4 (445.08886040000004)


   
   
   

Loxapine succinate

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

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

   

N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide

N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide

C19H18F3NO6S (445.08068840000004)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors

   

(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

(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

C19H17F6N5O (445.1337224)


D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors

   

Cerlapirdine hydrochloride

Cerlapirdine hydrochloride

C22H24ClN3O3S (445.12268240000003)


C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist

   

N4 2-O-Dibutyrylcytidine 3

N4 2-O-Dibutyrylcytidine 3

C17H24N3O9P (445.1250104)


   

4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

C24H19N3O6 (445.12737940000005)


   

N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide

N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide

C24H23N5O2S (445.1572378)


   

3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C22H15F4N3OS (445.08719080000003)


   

[9-(Benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone

[9-(Benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone

C25H19NO5S (445.0983884000001)


   

4-Hydroxy-3-[2-oxo-3-(thieno[3,2-B]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine

4-Hydroxy-3-[2-oxo-3-(thieno[3,2-B]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine

C19H19N5O4S2 (445.0878414)


   

(S)-2-(Phosphonoxy)caproyl-L-leucyl-P-nitroanilide

(S)-2-(Phosphonoxy)caproyl-L-leucyl-P-nitroanilide

C18H28N3O8P (445.16139380000004)


   

N-[4-Chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro-

N-[4-Chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro-

C23H25ClFN3O3 (445.15683820000004)


   

Glisentide

N-[2-[4-(cyclopentylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide

C22H27N3O5S (445.1671332000001)


C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent

   

Baicalin(1-)

Baicalin(1-)

C21H17O11- (445.07708319999995)


The carbohydrate acid derivative anion that is the conjugate base of baicalin.

   

(6R,7S)-7-[[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7S)-7-[[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C16H21N4O9S- (445.10291960000006)


   

(6S)-Tetrahydrofolic acid

5,6,7,8-Tetrahydrofolic acid

C19H23N7O6 (445.1709738)


   

5,6,7,8-Tetrahydrofolic acid

5,6,7,8-Tetrahydrofolic acid

C19H23N7O6 (445.1709738)


   

N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine

N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine

C19H23N7O2S2 (445.1354578)


   

N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide

C25H20FN3O2S (445.12601920000003)


   

2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide

2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide

C20H19N3O5S2 (445.07660840000005)


   

N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide

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

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

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-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide

2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide

C20H20FN5O4S (445.12199720000007)


   

1-(1-tert-butyl-5-tetrazolyl)-N-[(4-chlorophenyl)methyl]-N-(2-oxolanylmethyl)-1-thiophen-2-ylmethanamine

1-(1-tert-butyl-5-tetrazolyl)-N-[(4-chlorophenyl)methyl]-N-(2-oxolanylmethyl)-1-thiophen-2-ylmethanamine

C22H28ClN5OS (445.17029880000007)


   

biochanin A 7-O-beta-D-glucoside(1-)

biochanin A 7-O-beta-D-glucoside(1-)

C22H21O10- (445.11346660000004)


A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of biochanin A 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

Methyl 3-[(diphenylacetyl)amino]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

Methyl 3-[(diphenylacetyl)amino]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

C24H19N3O4S (445.1096214000001)


   

N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide

N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide

C24H19N3O4S (445.1096214000001)


   

5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-furanylmethyl)pentanamide

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

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

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

[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

[5-[2-(3,4-Dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate

C25H23N3O5 (445.16376280000003)


   

2-(2,6-Difluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one

2-(2,6-Difluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one

C25H17F2N3OS (445.10603360000005)


   

(2S,4S)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,4S)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

C22H24BrNO4 (445.08886040000004)


   

N-[(E)-[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-indole-3-carboxamide

N-[(E)-[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-indole-3-carboxamide

C27H19N5O2 (445.1538674)


   

1-epijosephinine Trifluoroacetic acid

1-epijosephinine Trifluoroacetic acid

C20H22F3NO7 (445.13482980000003)


A natural product found in Crinum asiaticum var. sinicum.

   

N-[4-(4-methylphenyl)-2-thiazolyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide

N-[4-(4-methylphenyl)-2-thiazolyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide

C23H19N5OS2 (445.1030964)


   

2-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine butanedioic acid

2-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine butanedioic acid

C22H24ClN3O5 (445.14044040000005)


   

(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

C21H24BrN3O3 (445.1000934)


   

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

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)


   

(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

C21H24BrN3O3 (445.1000934)


   

(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

C21H24BrN3O3 (445.1000934)


   

(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

C21H24BrN3O3 (445.1000934)


   
   

beta-citryl-L-glutamyl-L-glutamate

beta-citryl-L-glutamyl-L-glutamate

C16H17N2O13-5 (445.0730612)


   

4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide

4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide

C22H24ClN3O3S (445.12268240000003)


   

(6S)-5,6,7,8-Tetrahydrofolate

(6S)-5,6,7,8-Tetrahydrofolate

C19H23N7O6 (445.1709738)


   

(6S)-5,6,7,8-tetrahydrofolic acid

(6S)-5,6,7,8-tetrahydrofolic acid

C19H23N7O6 (445.1709738)


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

C23H22F3N3O3 (445.1613178)


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].

   

Quipazine (dimaleate)

Quipazine (dimaleate)

C21H23N3O8 (445.1485078)


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].

   

(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C17H23N3O9S (445.1154948000001)


   

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

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)


   

(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C17H23N3O9S (445.1154948000001)


   

[(z)-(6-oxo-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene)amino]oxysulfonic acid

[(z)-(6-oxo-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene)amino]oxysulfonic acid

C15H27NO10S2 (445.10763219999995)


   

[2-hydroxy-13-methyl-4-(3-methylbutyl)-11,14,17-trioxo-5-oxa-15-thia-13-azatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),2,8,12(16)-tetraen-6-yl]acetic acid

[2-hydroxy-13-methyl-4-(3-methylbutyl)-11,14,17-trioxo-5-oxa-15-thia-13-azatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),2,8,12(16)-tetraen-6-yl]acetic acid

C22H23NO7S (445.11951680000004)


   

6-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5-hydroxy-1-(1-hydroxyethyl)-3-methylnaphtho[2,3-c]thiophene-4,9-dione

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-(aziridin-2-yl)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrotetraphene-1,6-dione

3-(aziridin-2-yl)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrotetraphene-1,6-dione

C22H23NO9 (445.1372748)


   

(4r,5s,6r)-6-[(s)-[(3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid

(4r,5s,6r)-6-[(s)-[(3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid

C16H19N3O12 (445.0968694)


   

[(4r,6s)-2-hydroxy-13-methyl-4-(3-methylbutyl)-11,14,17-trioxo-5-oxa-15-thia-13-azatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),2,8,12(16)-tetraen-6-yl]acetic acid

[(4r,6s)-2-hydroxy-13-methyl-4-(3-methylbutyl)-11,14,17-trioxo-5-oxa-15-thia-13-azatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),2,8,12(16)-tetraen-6-yl]acetic acid

C22H23NO7S (445.11951680000004)


   

(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

(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

C26H23NO6 (445.1525298)


   

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

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

C26H23NO6 (445.1525298)


   

(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

(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)


   

(4s,5s,6s)-6-[(r)-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid

(4s,5s,6s)-6-[(r)-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid

C16H19N3O12 (445.0968694)


   

(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

(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

C16H23N5O8S (445.1267278)


   

(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

(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

C22H23NO9 (445.1372748)


   

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

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)


   

3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C17H23N3O9S (445.1154948000001)


   

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

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

C26H23NO6 (445.1525298)


   

2,5-dimethyl 3,4-bis(5-hydroxy-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylate

2,5-dimethyl 3,4-bis(5-hydroxy-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylate

C24H19N3O6 (445.12737940000005)