 | | GW5 | | Name: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID | | Formula: | C25 H22 O2 | | SMILES: | O=C(O)C=Cc3ccc(C(=C(/c1ccccc1)CC)c2ccccc2)cc3 | | InChi: | InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23- | | Synonyms: | GW5638 | | Definition date: | 2003-10-15 | | Last modified: | 2020-05-27 | | Identifier: | (2E)-3-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenyl}prop-2-enoic acid |
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 | | CP0 | | Name: | (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE | | Formula: | C33 H38 N4 O6 | | SMILES: | O=C7OCC=6C(=O)N2C(c1nc5c(c(c1C2)CC)cc(OC(=O)N4CCC(N3CCCCC3)CC4)cc5)=CC=6C7(O)CC | | InChi: | InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1 | | Synonyms: | IRINOTECAN | | Definition date: | 2004-08-02 | | Last modified: | 2020-05-27 | | Identifier: | (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate |
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 | | CQA | | Name: | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL | | Formula: | C20 H22 Cl N3 O | | SMILES: | Clc1cc2nccc(c2cc1)Nc3cc(c(O)cc3)CN(CC)CC | | InChi: | InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) | | Synonyms: | AMODIAQUINE | | Definition date: | 2005-08-31 | | Last modified: | 2020-05-27 | | Identifier: | 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol |
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 | | CTL | | Name: | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL | | Formula: | C10 H13 N O | | SMILES: | OC2c1ccccc1CCC2N | | InChi: | InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10+/m0/s1 | | Synonyms: | CIS-(1R,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE | | Definition date: | 2005-08-12 | | Last modified: | 2020-05-27 | | Identifier: | (1R,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol |
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 | | FA4 | | Name: | SM-25453 | | Formula: | C24 H42 N6 O3 | | SMILES: | O=C(NO)C(NC(=O)CCCCCCCCCc1ccccc1CNC(=[N@H])N)CCCCN | | InChi: | InChI=1S/C24H42N6O3/c25-17-11-10-15-21(23(32)30-33)29-22(31)16-7-5-3-1-2-4-6-12-19-13-8-9-14-20(19)18-28-24(26)27/h8-9,13-14,21,33H,1-7,10-12,15-18,25H2,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m1/s1 | | Synonyms: | (2-(9-((R)-1-(HYDROXYCARBAMOYL)-5-AMINOPENTYLCARBAMOYL)NONYL)BENZYL)GUANIDINE | | Definition date: | 2005-09-28 | | Last modified: | 2020-05-27 | | Identifier: | N-[(1R)-5-amino-1-(hydroxycarbamoyl)pentyl]-10-[2-(carbamimidamidomethyl)phenyl]decanamide |
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 | | ISE | | Name: | (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone | | Formula: | C6 H10 O6 | | SMILES: | O=C1C(O)C(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4+,5- | | Synonyms: | Inosose | | Definition date: | 2010-07-08 | | Last modified: | 2020-05-27 | | Identifier: | (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone |
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 | | CB1 | | Name: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | | Formula: | C9 H8 N4 O5 | | SMILES: | [O-][N+](=O)c1c(cc(c(c1)[N+]([O-])=O)N2CC2)C(=O)N | | InChi: | InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14) | | Synonyms: | CB1954 | | Definition date: | 2001-04-06 | | Last modified: | 2020-05-27 | | Identifier: | 5-aziridin-1-yl-2,4-dinitrobenzamide |
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 | | CE2 | | Name: | 3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE | | Formula: | C10 H15 N2 O4 | | SMILES: | [O-]c1noc(c1CC(C([O-])=O)[NH3+])C(C)(C)C | | InChi: | InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/p-1/t6-/m0/s1 | | Synonyms: | (S)-ATPA | | Definition date: | 2003-01-24 | | Last modified: | 2020-05-27 | | Identifier: | (2S)-2-ammonio-3-(5-tert-butyl-3-oxidoisoxazol-4-yl)propanoate |
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 | | CGQ | | Name: | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM | | Formula: | C17 H22 N9 | | SMILES: | N([NH+]=C(/N)N/N=C/c1cccc(C(=[NH2+])N)c1)=C/c2cccc(C(=[NH2+])N)c2 | | InChi: | InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)/p+3/b23-9+,24-10+ | | Synonyms: | CGP40215A | | Definition date: | 2002-07-30 | | Last modified: | 2020-05-27 | | Identifier: | (1E,2E)-1-{amino[(2E)-2-({3-[amino(iminio)methyl]phenyl}methylidene)hydrazino]methylidene}-2-({3-[amino(iminio)methyl]phenyl}methylidene)diazanium |
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 | | CHK | | Name: | 6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-6-DEOXY-D-XYLO-HEXITOL | | Formula: | C16 H31 N O7 | | SMILES: | O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CC1CCCCC1 | | InChi: | InChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1 | | Synonyms: | C-HEGA-8 | | Definition date: | 2004-11-24 | | Last modified: | 2020-05-27 | | Identifier: | 6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-D-allitol |
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 | | CIA | | Name: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE | | Formula: | C22 H19 N3 O4 | | SMILES: | O=C1N(C)CC(=O)N6C1Cc3c2ccccc2nc3C6c4ccc5OCOc5c4 | | InChi: | InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | | Synonyms: | TADALAFIL | | Definition date: | 2003-05-08 | | Last modified: | 2020-05-27 | | Identifier: | (6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione |
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 | | KEU | | Name: | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID | | Formula: | C22 H30 F3 N5 O8 | | SMILES: | O=C1NC(N)NC(N)C1CCCC(c2ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc2)C(O)(O)C(F)(F)F | | InChi: | InChI=1S/C22H30F3N5O8/c23-22(24,25)21(37,38)13(3-1-2-12-16(26)29-20(27)30-18(12)34)10-4-6-11(7-5-10)17(33)28-14(19(35)36)8-9-15(31)32/h4-7,12-14,16,20,29,37-38H,1-3,8-9,26-27H2,(H,28,33)(H,30,34)(H,31,32)(H,35,36)/t12?,13-,14+,16+,20-/m1/s1 | | Synonyms: | 10-CF3C(OH)2-DDACTHF | | Definition date: | 2003-02-20 | | Last modified: | 2020-05-27 | | Identifier: | N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid |
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 | | EH9 | | Name: | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol | | Formula: | C14 H23 N5 O | | SMILES: | n1c(c2ncn(c2nc1)C(CCCCCC)C(O)C)N | | InChi: | InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1 | | Synonyms: | Erythro-9-[3-(2-hydroxynonyl)] adenine | | Definition date: | 2007-08-22 | | Last modified: | 2020-05-27 | | Identifier: | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol |
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 | | M1L | | Name: | 2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID | | Formula: | C24 H30 N4 O7 S | | SMILES: | O=C(O)C(ON=C2/c1cc(c3c(c1NC2=O)CN(CC3)C)c4ccc(cc4)S(O)(O)N(C)C)CCO | | InChi: | InChI=1S/C24H30N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29,33-34H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)/t20-/m0/s1 | | Synonyms: | SPD 502 | | Definition date: | 2003-08-05 | | Last modified: | 2020-05-27 | | Identifier: | (2S)-2-({[(3E)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-1,2,6,7,8,9-hexahydro-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene]amino}oxy)-4-hydroxybutanoic acid |
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 | | M77 | | Name: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | | Formula: | C14 H17 N3 O2 S | | SMILES: | O=S(=O)(c2c1ccncc1ccc2)N3CCCNCC3 | | InChi: | InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | | Synonyms: | Fasudil | | Definition date: | 2003-08-26 | | Last modified: | 2020-05-27 | | Identifier: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline |
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 | | MAI | | Name: | DEOXO-METHYLARGININE | | Formula: | C7 H18 N4 O | | SMILES: | [N@H]=C(NCCCC(N)C(O)C)N | | InChi: | InChI=1S/C7H18N4O/c1-5(12)6(8)3-2-4-11-7(9)10/h5-6,12H,2-4,8H2,1H3,(H4,9,10,11)/t5-,6+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2020-05-27 | | Identifier: | 1-[(4S,5R)-4-amino-5-hydroxyhexyl]guanidine |
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 | | HBB | | Name: | N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE | | Formula: | C30 H43 N3 O6 S | | SMILES: | O=S(=O)(c1ccccc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)C(C)C | | InChi: | InChI=1S/C30H43N3O6S/c1-21(2)16-17-33(40(37,38)25-9-6-5-7-10-25)20-27(34)26-19-23-12-14-24(15-13-23)39-18-8-11-28(35)32-29(22(3)4)30(36)31-26/h5-7,9-10,12-15,21-22,26-27,29,34H,8,11,16-20H2,1-4H3,(H,31,36)(H,32,35)/t26-,27+,29-/m0/s1 | | Synonyms: | N-[2-HYDROXY-2-(8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-11-YL)-ETHYL]-N-(3-METHYL-BUTYL)-BENZENESULFONAMIDE | | Definition date: | 2005-03-07 | | Last modified: | 2020-05-27 | | Identifier: | N-{(2R)-2-hydroxy-2-[(8S,11S)-8-(1-methylethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide |
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 | | HBH | | Name: | 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE | | Formula: | C29 H40 N4 O7 S | | SMILES: | O=S(=O)(c1ccccc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)CC(=O)N | | InChi: | InChI=1S/C29H40N4O7S/c1-20(2)14-15-33(41(38,39)23-7-4-3-5-8-23)19-26(34)24-17-21-10-12-22(13-11-21)40-16-6-9-28(36)31-25(18-27(30)35)29(37)32-24/h3-5,7-8,10-13,20,24-26,34H,6,9,14-19H2,1-2H3,(H2,30,35)(H,31,36)(H,32,37)/t24-,25-,26+/m0/s1 | | Synonyms: | 2-(11-{2-[BENZENESULFONYL-(3-METHYL-BUTYL)-AMINO]-1-HYDROXY-ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-8-YL)-ACETAMIDE | | Definition date: | 2005-03-08 | | Last modified: | 2020-05-27 | | Identifier: | 2-[(8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide |
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 | | MS1 | | Name: | 2-[4-((2-AMINO-4-OXO-3,4-DIHYDRO-PYRIDO[3,2-D]PYRIMIDIN-6-YLMETHYL)-{3-[5-CARBAMOYL-3-(3,4- DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-3H-IMIDAZOL-4-YL]-ACRYLOYL}-AMINO)-BENZOYLAMINO]- PENTANEDIOIC ACID | | Formula: | C32 H34 N9 O15 P | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)N(C(=O)C=Cc2c(ncn2C3OC(C(O)C3O)COP(=O)(O)O)C(=O)N)Cc5nc4c(N=C(N)NC4=O)cc5)CCC(=O)O | | InChi: | InChI=1S/C32H34N9O15P/c33-27(47)24-19(41(13-35-24)30-26(46)25(45)20(56-30)12-55-57(52,53)54)8-9-21(42)40(11-15-3-6-17-23(36-15)29(49)39-32(34)38-17)16-4-1-14(2-5-16)28(48)37-18(31(50)51)7-10-22(43)44/h1-6,8-9,13,18,20,25-26,30,45-46H,7,10-12H2,(H2,33,47)(H,37,48)(H,43,44)(H,50,51)(H2,52,53,54)(H3,34,38,39,49)/b9-8+/t18-,20+,25+,26+,30+/m0/s1 | | Synonyms: | BETA-DADF | | Definition date: | 2003-04-25 | | Last modified: | 2020-05-27 | | Identifier: | N-{[4-([(2-amino-4-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]{(2E)-3-[4-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-yl]prop-2-enoyl}amino)phenyl]carbonyl}-L-glutamic acid |
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 | | MTI | | Name: | 3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM | | Formula: | C12 H17 N4 O3 S | | SMILES: | O=C1c2c(N=CN1)c(cn2)C3[NH2+]C(CSC)C(O)C3O | | InChi: | InChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/p+1/t6-,8+,10-,11+/m1/s1 | | Synonyms: | (1S)-1-(0-DEAZAHYPOXANTHIN-9-YL)-1,4-DIDEOXY-1,4-IMINO-5-METHYLTHIO-D-RIBITOL | | Definition date: | 2003-08-25 | | Last modified: | 2020-05-27 | | Identifier: | (2S,3R,4S,5S)-3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium |
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 | | NCG | | Name: | [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE | | Formula: | C45 H52 N4 O18 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC7c3cc1c(C=CC1(O)C2OC(=O)OC2)cc3C(OC4OC(C(O)C(O)C4NC)C)C7OC(=O)c6c5cc(OC)cc(c5ccc6O)C | | InChi: | InChI=1S/C45H52N4O18S/c1-18-11-21(62-4)13-23-22(18)5-7-29(50)33(23)42(59)66-38-37(67-43-34(47-3)36(55)35(54)19(2)64-43)24-12-20-9-10-45(61,30-16-63-44(60)65-30)26(20)14-25(24)39(38)68-17-28(40(56)48-15-32(52)53)49-31(51)8-6-27(46)41(57)58/h5,7,9-14,19,27-28,30,34-39,43,47,50,54-55,61H,6,8,15-17,46H2,1-4H3,(H,48,56)(H,49,51)(H,52,53)(H,57,58)/t19-,27-,28+,30-,34-,35+,36-,37-,38+,39+,43-,45-/m1/s1 | | Synonyms: | NCSI-GLU | | Definition date: | 2002-09-26 | | Last modified: | 2020-05-27 | | Identifier: | D-gamma-glutamyl-S-{(1S,2S,3R,7R)-3-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-7-hydroxy-2-{[(2-hydroxy-7-methoxy-5-methylnaphthalen-1-yl)carbonyl]oxy}-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-1,2,3,7-tetrahydro-s-indacen-1-yl}-L-cysteinylglycine |
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 | | NCT | | Name: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | | Formula: | C10 H14 N2 | | SMILES: | n1cc(ccc1)C2N(C)CCC2 | | InChi: | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | | Synonyms: | (S)-(-)-NICOTINE | | Definition date: | 2003-04-21 | | Last modified: | 2020-05-27 | | Identifier: | 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
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 | | NCV | | Name: | N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine | | Formula: | C10 H16 N2 O4 | | SMILES: | O=C1C(=C(N(C(=O)N1)C)CC(CO)CO)C | | InChi: | InChI=1S/C10H16N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h7,13-14H,3-5H2,1-2H3,(H,11,15,16) | | Synonyms: | 6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione | | Definition date: | 2008-10-29 | | Last modified: | 2020-05-27 | | Identifier: | 6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
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 | | NEX | | Name: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL | | Formula: | C40 H56 O4 | | SMILES: | OC3CC(C(=C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(C=CC12OC2(C)CC(O)CC1(C)C)C)C)C)C)C(O)(C)C3)(C)C | | InChi: | InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22-,33-,34-,38+,39+,40-/m0/s1 | | Synonyms: | (3S,5R,6R,3'S,5'R,6'S)-5',6'-EPOXY-6,7-DIDEHYDRO- 5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-3,5,3'-TRIOL | | Definition date: | 2003-12-22 | | Last modified: | 2020-05-27 | | Identifier: | (3S,3'S,5R,5'R,6R,6'S,8R,9'cis)-6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene-3,3',5-triol |
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 | | NJV | | Name: | 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide | | Formula: | C24 H24 F N7 O | | SMILES: | c3(cc(c(n2cc(C1CC1)nc2)cc3C(Nc4nc(ccc4)c5n(cnn5)C(C)C)=O)C)F | | InChi: | InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33) | | Synonyms: | Selonsertib | | Definition date: | 2019-05-15 | | Last modified: | 2020-05-27 | | Release date: | 2019-11-27 | | Identifier: | 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide |
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