Exact Mass: 439.17700679999996
Exact Mass Matches: 439.17700679999996
Found 455 metabolites which its exact mass value is equals to given mass value 439.17700679999996,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Estramustine
C23H31Cl2NO3 (439.16808760000004)
Estramustine is only found in individuals that have used or taken this drug. It is a nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties. [PubChem]Estramustine is a derivative of estradiol with a nitrogen mustard moiety. This gives it alkylating properties. In vivo, the nitrogen mustard component is active and can alklyate DNA and other cellular components (such as tubulin components) of rapidly dividing cells. This causes DNA strandbreaks or misscoding events. This leads to apoptosis and cell death. Also, due to the drugs estrogen component, it can bind more selectively to active estrogen receptors. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D009676 - Noxae > D000477 - Alkylating Agents Same as: D04066
Pivmecillinam
C21H33N3O5S (439.2140808000001)
Pivmecillinam is only found in individuals that have used or taken this drug. It is a mecillinam prodrug, a pivaloyloxymethyl ester of amdinocillin that is well absorbed orally, but broken down to amdinocillin in the intestinal mucosa. It is active against gram-negative organisms and used as for amdinocillin. [PubChem]Pivmecillinam interferes with the biosynthesis of the bacterial cell wall however its activity is slightly different from that of other penicillins and cephalosporins J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
O-Desmethylvenlafaxine glucuronide
C22H33NO8 (439.22060580000004)
O-Desmethylvenlafaxine glucuronide is a metabolite of venlafaxine (brand name: Effexor or Efexor). Venlafaxine is a bicyclic antidepressant and is usually categorized as a serotonin-norepinephrine reuptake inhibitor (SNRI), but it has been referred to as a serotonin-norepinephrine-dopamine reuptake inhibitor. It works by blocking the transporter reuptake proteins for key neurotransmitters affecting mood, thereby leaving more active neurotransmitters in the synapse.
(17-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate
C23H31Cl2NO3 (439.16808760000004)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D009676 - Noxae > D000477 - Alkylating Agents
2-Tert-Butyl-5-phenyl 4-[(4-piperidin-1-ylphenyl)amino]isothiazol-3(2H)-one 1,1-dioxide
C24H29N3O3S (439.1929524000001)
Lefradafibanum
Lestaurtinib
C26H21N3O4 (439.15319860000005)
(S)-3-(6-Methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid
C23H29N5O4 (439.22194340000004)
N-(3-Phenylpropyl)-3,4-dihydroxybenzylidene cyanoacetamide
D000970 - Antineoplastic Agents > D020032 - Tyrphostins
(Tetrahydropyran-4-yl)-[2-phenyl-5-(1,1-dioxo-thiomorpholin-4-yl)methyl-1H-indol-7-yl]amine
C24H29N3O3S (439.1929524000001)
Saroglitazar
C25H29NO4S (439.1817194000001)
Sporamin
C21H30BrNO4 (439.13580800000005)
The major storage protein of sweet potato tubers Ipomoea batatas accounting for ca. 80\\% of total soluble protein. Possesses Trypsin inhibiting activity which may have a defense role against tuber damage. Sporamin is found in root vegetables.
Hyoscine_butylbromide
C21H30NO4+.Br- (439.13580800000005)
Butylscopolamine bromide is an organic bromide salt of butylscopolamine. It is an antispasmodic drug which can relieve painful stomach cramps (including those linked with irritable bowel syndrome), bladder and menstrual cramps. It has a role as a muscarinic antagonist and an antispasmodic drug. It is an organic bromide salt and a quaternary ammonium salt. It contains a butylscopolamine. Butylscopolamine Bromide is an orally available bromide salt form of butylscopolamine, a quaternary ammonium derivative of the alkaloid scopolamine, with anticholinergic property. Upon oral administration, hyoscine butylbromide binds to and blocks muscarinic receptors located on postganglionic parasympathetic nerve endings and on smooth muscle cells. This blocks the activity of acetylcholine (Ach) and causes its antispasmodic effect in the gastrointestinal (GI), urinary, uterine, and biliary tracts. This agent may also facilitate radiologic visualization of the GI tract. Antimuscarinic quaternary ammonium derivative of scopolamine used to treat cramps in gastrointestinal, urinary, uterine, and biliary tracts, and to facilitate radiologic visualization of the gastrointestinal tract. C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
Nitrile,O-beta-D-glucopyranoside-,tetra-Ac-1-Hydroxy-2-cyclopentene-1-carboxylic acid
7,8-Dihydro,78-dihydroxy-Gerambullin|gerambullindiol
C22H33NO6S (439.2028478000001)
(S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((E)-3-(4-hydroxyphenyl)allylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid|S-p-hydroxycinnamylglutathione
14-Hydroxy-2,3,4,6,7-pentamethoxyphenanthroindolizidine
C25H29NO6 (439.19947740000003)
4-Aminophenyl 2,3,4,6-tetra-O-acetyl-a-D-mannopyranoside
Hyoscine_butylbromide
C21H30BrNO4 (439.13580800000005)
Butylscopolamine bromide is an organic bromide salt of butylscopolamine. It is an antispasmodic drug which can relieve painful stomach cramps (including those linked with irritable bowel syndrome), bladder and menstrual cramps. It has a role as a muscarinic antagonist and an antispasmodic drug. It is an organic bromide salt and a quaternary ammonium salt. It contains a butylscopolamine. Butylscopolamine Bromide is an orally available bromide salt form of butylscopolamine, a quaternary ammonium derivative of the alkaloid scopolamine, with anticholinergic property. Upon oral administration, hyoscine butylbromide binds to and blocks muscarinic receptors located on postganglionic parasympathetic nerve endings and on smooth muscle cells. This blocks the activity of acetylcholine (Ach) and causes its antispasmodic effect in the gastrointestinal (GI), urinary, uterine, and biliary tracts. This agent may also facilitate radiologic visualization of the GI tract. Antimuscarinic quaternary ammonium derivative of scopolamine used to treat cramps in gastrointestinal, urinary, uterine, and biliary tracts, and to facilitate radiologic visualization of the gastrointestinal tract. C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
Ala His Asn Val
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PIVMECILLINAM
C21H33N3O5S (439.2140808000001)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Sulfamisterin
C19H37NO8S (439.22397620000004)
2-[[4-[(2-cyano-3-nitrophenyl)azo]-m-tolyl](2-acetoxyethyl)amino]ethyl acetate
C21H21N5O6 (439.14917660000003)
(3S,4R)-(-)-4-(4-FLUOROPHENYL)3-HYDROXYMETHYL)-PIPERIDINE
Pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione,7-[2-(acetyloxy)ethyl]-6-hydroxy-1,3-dimethyl-9-(phenylmethyl)-
C21H21N5O6 (439.14917660000003)
N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
C28H26NO2P (439.17010660000005)
1,1-dimethyl-2-benzoxepin-3-yl)phenyl]ethenyl]-
C29H26ClNO (439.17028160000007)
3-Amino-6-(4-{[1-(dimethylamino)-2-propanyl]sulfonyl}phenyl)-N-ph enyl-2-pyrazinecarboxamide
C22H25N5O3S (439.16780200000005)
2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-[(E)-phen yldiazenyl]-4,6-pyrimidinediamine
C23H18FN9 (439.16691199999997)
(S)-(-)-1-(2-Diphenylphosphino-1-naphthyl)isoquinoline (S)-QUINAP
N N-BIS-[(R)-1-PHENYLETHYL]DIBENZO[D F][
C28H26NO2P (439.17010660000005)
4-METHOXYPHENYL 3-O-ALLYL-2-AZIDO-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GALACTOPYRANOSIDE
5-trityl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-ol,acetate
(5R,6S)-6-[(1R)-1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-propenyl ester
C21H33NO5SSi (439.1848608000001)
N-(2-NITROPHENYLSULFENYL)-L-SERINE (DICYCLOHEXYLAMMONIUM) SALT
C21H33N3O5S (439.2140808000001)
9-Mesityl-2,7,10-trimethylacridinium perchlorate
C25H26ClNO4 (439.1550266000001)
6-[1-[(tert-Butyldimethylsilyl)oxy]ethyl]-7-oxo-3-(tetrahydro-3-furanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-propenyl ester
C21H33NO5SSi (439.1848608000001)
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3,4,5-trimethoxybenzamide
(S)-2-(Z-AMINO)-3-PHENYLPROPYL TOLUENE-4-SULFONATE
C24H25NO5S (439.14533600000004)
Tie2 kinase inhibitor
C26H21N3O2S (439.13544060000004)
S-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINE CARBOXYLIC ACID BENZYL ESTER P-TOLUENESULFONIC ACID SALT
C24H25NO5S (439.14533600000004)
Lestaurtinib
C26H21N3O4 (439.15319860000005)
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
B-(9-[1,1:3,1-Terphenyl]-5-yl-9H-carbazol-3-yl)boronic acid
1,1-Biphenyl-2,2-diylbis((1S)-1-phenylethyl)phosphoramidite
C28H26NO2P (439.17010660000005)
4-methylumbelliferyl myo-inositol-1-phosphate, n-methyl-morpholine salt
C21H29NO9 (439.18422240000007)
2-[N-(2-acetyloxyethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl acetate
C21H21N5O6 (439.14917660000003)
(r)-(+)-1-(2-diphenylphosphino-1-naphthyl)isoquinoline
Vorolanib
C23H26FN5O3 (439.20195780000006)
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 D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors Vorolanib (CM082) is an orally active, potent multikinase VEGFR/PDGFR inhibitor. Vorolanib is a potent ATP-binding cassette (ABC) transporter inhibitor. Vorolanib is an angiogenesis inhibitor and has antitumor activity combined with ZD1839 (HY-50895)[1][2].
Saroglitazar
C25H29NO4S (439.1817194000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist Saroglitazar is a novel peroxisome proliferator-activated receptor (PPAR) agonist with predominant PPARα and moderate PPARγ activity with EC50 values of 0.65 pM and 3 nM in HepG2 cells, respectively.
Ziresovir
C22H25N5O3S (439.16780200000005)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
1H-Pyrazolo(3,4-b)pyridin-4-amine, 5-(5-((2,4-dimethyl-5-thiazolyl)methyl)-1,3,4-oxadiazol-2-yl)-1-ethyl-n-(tetrahydro-2H-pyran-4-yl)-
N-{2,2-Difluoro-2-[(2R)-piperidin-2-YL]ethyl}-2-[2-(1H-1,2,4-triazol-1-YL)benzyl][1,3]oxazolo[4,5-C]pyridin-4-amine
C22H23F2N7O (439.19320519999997)
Amibegron hydrochloride
C22H27Cl2NO4 (439.13170420000006)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists Amibegron hydrochloride is a selective β3-adrenoceptor agonist, with an EC50 of 3.5 nM for β-adrenoceptor in rat colon; Amibegron hydrochloride has anxiolytic and antidepressant activity.
Panobinostat Lactate
C24H29N3O5 (439.21071040000004)
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Benzhydrocodone hydrochloride
C25H26ClNO4 (439.1550266000001)
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
2-Tert-Butyl-5-phenyl 4-[(4-piperidin-1-ylphenyl)amino]isothiazol-3(2H)-one 1,1-dioxide
C24H29N3O3S (439.1929524000001)
AZ876 is a potent and high-affinity LXR agonist. AZ876 displays 25-fold and 2.5-fold more potent than GW3965 (HY-10627) on human (h)LXRα and hLXRβ respectively[1][2].
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
3-Furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
C25H21N5O3 (439.16443160000006)
ML230 (CID44640177; SID 88095709) is a selective inhibitor of ATP-binding cassette (ABC) transporter ABCG2, and 36-fold selective for ABCG2 over ABCB1 with EC50s values of 0.13 μM and 4.65 μM, respectively[1].
2-(1-Adamantyl)-5-(4-ethoxy-3-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
C24H29N3O3S (439.1929524000001)
6-Amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
C23H29N5O4 (439.22194340000004)
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxamide
C25H21N5O3 (439.16443160000006)
Dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate
2-[[6-(4-Morpholinyl)-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester
C23H25N3O4S (439.15656900000005)
8-Benzyl-2-hydroxy-2-(4-hydroxy-benzyl)-6-(4-hydroxy-phenyl)-2H-imidazo[1,2-A]pyrazin-3-one
C26H21N3O4 (439.15319860000005)
estramustine
C23H31Cl2NO3 (439.16808760000004)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D009676 - Noxae > D000477 - Alkylating Agents Same as: D04066
3-O-demethyl-4-N-demethyl-staurosporine
C26H23N4O3+ (439.17700679999996)
2,8-Dibenzyl-2-hydroperoxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one
C26H21N3O4 (439.15319860000005)
1-[(4-methylphenyl)methyl]-2,4-dioxo-N-(phenylmethyl)-3-prop-2-enyl-7-quinazolinecarboxamide
Dichotomide XIII, (rel)-
A natural product found in Stellaria dichotoma var. lanceolata.
2-(3-ethoxypropylamino)-8-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-pyrimidinecarboxamide
C23H29N5O4 (439.22194340000004)
N-(2-ethoxyphenyl)-1-(8-quinolinylsulfonyl)-3-piperidinecarboxamide
C23H25N3O4S (439.15656900000005)
4-[[Oxo-[4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester
C24H29N3O3S (439.1929524000001)
1-[(4-Fluorophenyl)methyl]-3-(2-furanylmethyl)-4-imino-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-2-one
C23H22FN3O3S (439.13658340000006)
2-(4-chlorophenoxy)-N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]acetamide
C23H22ClN3O4 (439.12987620000007)
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide
C21H21N5O4S (439.1314186000001)
N-[(3,5-dimethyl-1-piperidinyl)-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide
C20H29N3O4S2 (439.15993940000004)
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
C21H21N5O6 (439.14917660000003)
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea
C24H29N3O3S (439.1929524000001)
N-[(2-methoxyphenyl)methyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide
C23H25N3O4S (439.15656900000005)
(E)-2-cyano-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
[1-[[1-(5-Chloro-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]-(2,4-dimethoxyphenyl)methanone
C24H26ClN3O3 (439.1662596000001)
Ethyl 3-oxo-3-[(18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)amino]propanoate
C26H21N3O4 (439.15319860000005)
2-azaniumyl-5-[[3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]sulfanyl-1-(carboxylatomethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate
(2s,3r)-2-Amino-(2-hydroxy-methyl)-12-oxo-3-(sulphooxy)octadecanoic acid
C19H37NO8S (439.22397620000004)
5-(Furan-2-yl)-7-(4-(furan-3-ylmethyl)piperazin-1-yl)-2-(p-tolyl)pyrazolo[1,5-a]pyrimidine
9-(trifluoromethyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1,9:6,7,8]chromeno[2,3-f]quinolin-4-ium
6-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-3-cyclohexyl-1H-pyrimidine-2,4-dione
C23H26ClN5O2 (439.17749260000005)
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
1-[(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
C24H26ClN3O3 (439.1662596000001)
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
1-[(1R)-1-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
C24H26ClN3O3 (439.1662596000001)
[(1S)-1-[(2-chlorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
[(1R)-1-[(4-chlorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-(phenylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
(2R,3R,3aS,9bS)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H21F4N3O3 (439.15189640000006)
(2R,3R,3aS,9bS)-7-(2-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H21F4N3O3 (439.15189640000006)
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
C21H33N3O5S (439.2140808000001)
N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
C21H33N3O5S (439.2140808000001)
N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylpyrazine-2-carboxamide
C23H29N5O4 (439.22194340000004)
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
N-[2-[(2R,5S,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
N-[2-[(2R,5R,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]-N-[2-(1-piperidinyl)ethyl]acetamide
C21H33N3O5S (439.2140808000001)
2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]-N-[2-(1-piperidinyl)ethyl]acetamide
C21H33N3O5S (439.2140808000001)
2-[(2S,5R,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]-N-[2-(1-piperidinyl)ethyl]acetamide
C21H33N3O5S (439.2140808000001)
N-[(2R,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
C23H26FN5O3 (439.20195780000006)
N-[(2R,3R,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
C23H26FN5O3 (439.20195780000006)
N-[(2R,3R,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
C23H26FN5O3 (439.20195780000006)
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
(1R,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
C24H26FN3O4 (439.19072480000005)
2-[(2S,4aR,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aR,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
C24H29N3O5 (439.21071040000004)
(2S,3S,3aR,9bR)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H21F4N3O3 (439.15189640000006)
(2S,3S,3aR,9bR)-7-(2-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H21F4N3O3 (439.15189640000006)
3-[(3aR,4R,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
[(8S,9S,10R)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C24H29N3O3S (439.1929524000001)
[(8R,9S,10S)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C24H29N3O3S (439.1929524000001)
N,N-dimethyl-3-[4-[(1S,5R)-3-(1-oxo-2-phenylethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
1-[(1S)-1-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
C24H26ClN3O3 (439.1662596000001)
[(1R)-1-[(2-chlorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
C21H33N3O5S (439.2140808000001)
N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
C21H33N3O5S (439.2140808000001)
N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
C21H33N3O5S (439.2140808000001)
N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylpyrazine-2-carboxamide
C23H29N5O4 (439.22194340000004)
N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylpyrazine-2-carboxamide
C23H29N5O4 (439.22194340000004)
N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylpyrazine-2-carboxamide
C23H29N5O4 (439.22194340000004)
N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylpyrazine-2-carboxamide
C23H29N5O4 (439.22194340000004)
N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylpyrazine-2-carboxamide
C23H29N5O4 (439.22194340000004)
N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylpyrazine-2-carboxamide
C23H29N5O4 (439.22194340000004)
N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylpyrazine-2-carboxamide
C23H29N5O4 (439.22194340000004)
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[(2-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H29N3O5 (439.21071040000004)
N-[2-[(2S,5R,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
N-[2-[(2S,5S,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
N-[2-[(2R,5R,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
N-[2-[(2S,5S,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
2-[(2S,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]-N-[2-(1-piperidinyl)ethyl]acetamide
C21H33N3O5S (439.2140808000001)
2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]-N-[2-(1-piperidinyl)ethyl]acetamide
C21H33N3O5S (439.2140808000001)
2-[(2S,5S,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]-N-[2-(1-piperidinyl)ethyl]acetamide
C21H33N3O5S (439.2140808000001)
2-[(2R,5R,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]-N-[2-(1-piperidinyl)ethyl]acetamide
C21H33N3O5S (439.2140808000001)
2-[(2R,5S,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]-N-[2-(1-piperidinyl)ethyl]acetamide
C21H33N3O5S (439.2140808000001)
N-[(2S,3R,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
C23H26FN5O3 (439.20195780000006)
N-[(2S,3R,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
C23H26FN5O3 (439.20195780000006)
N-[(2R,3S,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
C23H26FN5O3 (439.20195780000006)
N-[(2S,3S,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
C23H26FN5O3 (439.20195780000006)
N-[(2S,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
C23H26FN5O3 (439.20195780000006)
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
(1S,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
C24H26FN3O4 (439.19072480000005)
(1S,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
C24H26FN3O4 (439.19072480000005)
2-[(2S,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aR,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aS,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyridinyl)methanone
3-[(3aS,4S,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
3-[(3aR,4S,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
[(8R,9R,10S)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C24H29N3O3S (439.1929524000001)
[(8S,9R,10R)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C24H29N3O3S (439.1929524000001)
3-[4-[(8R,9R,10R)-6-ethylsulfonyl-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile
C24H29N3O3S (439.1929524000001)
[(1R)-2-[(3-chlorophenyl)methyl]-7-methoxy-1-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
(2S)-N-{(2S)-1-[(3S)-3-carboxy-3,4-dihydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}-1-ethoxy-1-oxo-4-phenylbutan-2-aminium
2,2-dimethylpropanoyloxymethyl (2S,5S,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
C21H33N3O5S (439.2140808000001)
(1S,9R,10R,11R)-12-(4-fluorobenzoyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C24H26FN3O4 (439.19072480000005)
(1S,13S,15S)-12,12-dimethyl-10-oxido-7-phenyl-19,21-diaza-10-azoniahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-2,4(9),5,7,10-pentaene-20,22-dione
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-oxo-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-methoxy-3-(sulfooxy)phenyl]propanimidic acid
[4-[2-[3-(3,4-Dimethoxyphenyl)propanoylamino]ethyl]-2-methoxyphenyl] hydrogen sulate
(1R,9S,10S,11S)-12-(4-fluorobenzoyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C24H26FN3O4 (439.19072480000005)
(1R,8S,9R,12R,14S)-spiro[1,10-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,16-2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene]-3,14,15-trione
C25H21N5O3 (439.16443160000006)
phosphatidylethanolamine P-16:0
C21H30NO7P (439.17598000000004)
A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl chain at position 1 and the acyl group at position 2 contain a total of 16 carbons and no double bonds.
TC-F2
TC-F2 is a reversible non-covalent binding inhibitor of fatty acid amide hydrolase (FAAH) with an IC50 of 28 nM. FAAH is involved in many human diseases, particularly cancer, pain and inflammation as well as neurological, metabolic and cardiovascular disorders[1].
Zamaporvint
Zamaporvint (RXC004) is an orally active and selective inhibitor of Wnt. Zamaporvint targete membrane-bound o-acyltransferase Porcupine and inhibited Wnt ligand palmitoylation, secretion, and pathway activation. Zamaporvint displays a favorable pharmacokinetic profile and shows potent antiproliferative effects in Wnt ligand-dependent colorectal and pancreatic cell lines. Zamaporvint possesses multiple antitumor mechanisms and can be used in cancer research[1].
4-methyl-3-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaene-5,6,18-triol
C26H21N3O4 (439.15319860000005)
9-ethyl-4,9-dihydroxy-8-methyl-4-(sec-butyl)-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione
C22H33NO8 (439.22060580000004)
(1r,4z,8r,10z,12s,15r,17r)-8,17-dihydroxy-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,10-dien-3-one
C22H33NO6S (439.2028478000001)
(20r,21s)-4,5,6,10,11-pentamethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaen-21-ol
C25H29NO6 (439.19947740000003)
n-(2-{4-[(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)oxy]phenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid
C22H33NO6S (439.2028478000001)
2-({1-acetyl-9h-pyrido[3,4-b]indol-3-yl}formamido)-5-butoxy-5-oxopentanoic acid
(2e,4e,6r)-n-[(1s,2r,4's,5r,5's,6s)-4-chloro-5,5'-dihydroxy-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-oxolan]-3-en-4'-yl]-4,6-dimethyldodeca-2,4-dienimidic acid
C23H34ClNO5 (439.2125384000001)
3'-acetylheliosupine
C22H33NO8 (439.22060580000004)
{"Ingredient_id": "HBIN007878","Ingredient_name": "3'-acetylheliosupine","Alias": "NA","Ingredient_formula": "C22H33NO8","Ingredient_Smile": "CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC(=O)C)(C(C)(C)O)O","Ingredient_weight": "439.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37193","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6431047","DrugBank_id": "NA"}
3-{3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-5-oxo-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-2-yl}benzoic acid
C27H21NO5 (439.14196560000005)
methyl (1r,3r,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
n-(2-{3-hydroxy-4-[(4-hydroxy-3,7-dimethyloct-6-en-1-yl)oxy]phenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid
C22H33NO6S (439.2028478000001)
(2r,4s,5s,6s)-4-methyl-3-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaene-5,6,18-triol
C26H21N3O4 (439.15319860000005)
(1r)-1-butoxy-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaene-14,21-dione
(2s,3r,4r,6r)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-3,4,16-triol
C26H21N3O4 (439.15319860000005)
(1r,4s,8r,9s,19r)-4-[(2s)-butan-2-yl]-9-ethyl-4,9-dihydroxy-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione
C22H33NO8 (439.22060580000004)
4-({1-acetyl-9h-pyrido[3,4-b]indol-3-yl}formamido)-5-butoxy-5-oxopentanoic acid
8,17-dihydroxy-17-(2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl)-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,10-dien-3-one
C22H33NO6S (439.2028478000001)
(1s,7as)-7-({[(2s)-2-[(1s)-1-(acetyloxy)ethyl]-2,3-dihydroxy-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate
C22H33NO8 (439.22060580000004)
(2e,4e,6r)-n-[(1r,2s,4's,5s,5's,6r)-4-chloro-5,5'-dihydroxy-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-oxolan]-3-en-4'-yl]-4,6-dimethyldodeca-2,4-dienimidic acid
C23H34ClNO5 (439.2125384000001)
(2s)-2-amino-4-{[(1r)-1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]sulfanyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid
(1s,9'r,12s,13s,14's)-15-hydroxy-1',2,10,10',16-pentaazaspiro[tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane-13,8'-tetracyclo[7.6.0.0²,⁷.0¹⁰,¹⁴]pentadecan]-2',4,4',6,6',8,10,15-octaene-3,15'-dione
C25H21N5O3 (439.16443160000006)
1-{11,12-dihydroxy-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-yl}propan-2-one
(2e,4e)-n-{4-chloro-5,5'-dihydroxy-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-oxolan]-3-en-4'-yl}-4,6-dimethyldodeca-2,4-dienimidic acid
C23H34ClNO5 (439.2125384000001)
(2e)-n-[2-(4-{[(2e,6s)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}phenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid
C22H33NO6S (439.2028478000001)
(1s,7ar)-7-({[(2r)-2-[(1s)-1-(acetyloxy)ethyl]-2,3-dihydroxy-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate
C22H33NO8 (439.22060580000004)
4,5,6,10,11-pentamethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaen-21-ol
C25H29NO6 (439.19947740000003)
4-{3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-5-oxo-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-2-yl}benzoic acid
C27H21NO5 (439.14196560000005)
(2s)-2-amino-4-{[(1r)-1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-{[3-(4-hydroxyphenyl)prop-2-en-1-yl]sulfanyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid
(1r)-7-({[3-(acetyloxy)-2-hydroxy-2-(2-hydroxypropan-2-yl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate
C22H33NO8 (439.22060580000004)
7-({[3-(acetyloxy)-2-hydroxy-2-(2-hydroxypropan-2-yl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 2-methylbut-2-enoate
C22H33NO8 (439.22060580000004)
methyl (1r,3s,4s,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(2e)-n-[2-(3-hydroxy-4-{[(3r,4r)-4-hydroxy-3,7-dimethyloct-6-en-1-yl]oxy}phenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid
C22H33NO6S (439.2028478000001)