 | | H58 | | Name: | (3alpha)-[3-({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene | | Formula: | C20 H30 Fe N2 O2 | | SMILES: | [Fe](C1C=CC=C1)C2C=CC(=C2)CCCNCCC3NC(C(O)C3O)C | | InChi: | InChI=1S/C15H25N2O2.C5H5.Fe/c1-11-14(18)15(19)13(17-11)8-10-16-9-4-7-12-5-2-3-6-12 | | Synonyms: | (2S,3S,4R,5S)-2-[N-(propylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol | | Definition date: | 2013-03-08 | | Last modified: | 2021-03-13 | | Identifier: | (3alpha)-[3-({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene |
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 | | H6M | | Name: | N-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine | | Formula: | C19 H24 N6 O4 | | SMILES: | C(=O)(O)CCNc2cc(N1CCCN(C(=O)CO)CC1)nc(n2)c3ccccn3 | | InChi: | InChI=1S/C19H24N6O4/c26-13-17(27)25-9-3-8-24(10-11-25)16-12-15(21-7-5-18(28)29)22-19(23-16)14-4-1-2-6-20-14/h1-2,4,6,12,26H,3,5,7-11,13H2,(H,28,29)(H,21,22,23) | | Synonyms: | hydrolysis product of 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid | | Definition date: | 2018-06-11 | | Last modified: | 2021-03-13 | | Release date: | 2019-06-12 | | Identifier: | N-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine |
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 | | H84 | | Name: | 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine | | Formula: | C11 H16 Br2 N5 O11 P3 | | SMILES: | n1c(c2c(nc1)n(cn2)C3OC(C(C3)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)(Br)Br)=O)N | | InChi: | InChI=1S/C11H16Br2N5O11P3/c12-11(13,30(20,21)22)31(23,24)29-32(25,26)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t5-,6+,7+/m0/s1 | | Synonyms: | beta, gamma dATP analogue | | Definition date: | 2018-06-14 | | Last modified: | 2021-03-13 | | Release date: | 2018-06-27 | | Identifier: | 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine |
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 | | 6BQ | | Name: | Phosphorylated josamycin | | Formula: | C42 H74 N O18 P | | SMILES: | C1(O)C(CC(C(C(C(CC(OC(CCC=CC1)C)=O)OC(=O)C)OC)OC2C(OP(=O)(O)O)C(N(C)C)C(C(O2)C)OC3CC(O)(C(C(O3)C)OC(CC(C)C)=O)C)CCO)C | | InChi: | InChI=1S/C42H74NO18P/c1-23(2)19-32(47)58-40-27(6)55-34(22-42(40,8)49)59-36-26(5)56-41(39(35(36)43(9)10)61-62(50,51)52)60-37-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)54-33(48)21-31(38(37)53-11)57-28(7)45/h12,14,23-27,29-31,34-41,44,46,49H,13,15-22H2,1-11H3,(H2,50,51,52)/b14-12+/t24-,25-,26-,27+,29+,30+,31-,34+,35+,36-,37+,38+,39-,40+,41+,42-/m1/s1 | | Synonyms: | (2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,16R)-4-(acetyloxy)-10-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadec-12-en-6-yl]oxy}-4-(dimethylamino)-2-methyl-5-(phosphonooxy)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate | | Definition date: | 2016-03-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-04-26 | | Identifier: | (2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,16R)-4-(acetyloxy)-10-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadec-12-en-6-yl]oxy}-4-(dimethylamino)-2-methyl-5-(phosphonooxy)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name) |
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 | | 6D8 | | Name: | VT-464 | | Formula: | C18 H17 F4 N3 O3 | | SMILES: | c2c(c(cc3cc(C(c1cnnn1)(C(C)C)O)ccc23)OC(F)F)OC(F)F | | InChi: | InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1 | | Synonyms: | (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-1,2,3-triazol-4-yl)propan-1-ol | | Definition date: | 2016-03-16 | | Last modified: | 2021-03-13 | | Release date: | 2017-03-15 | | Identifier: | (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(1H-1,2,3-triazol-4-yl)propan-1-ol |
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 | | HCR | | Name: | 7-HYDROXYCHOLESTEROL | | Formula: | C27 H46 O2 | | SMILES: | OC3C=C4C(C2C3C1C(C(C(C)CCCC(C)C)CC1)(C)CC2)(CCC(O)C4)C | | InChi: | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1 | | Synonyms: | (3BETA,7BETA)-CHOLEST-5-ENE-3,7-DIOL | | Definition date: | 2005-05-09 | | Last modified: | 2021-03-13 | | Identifier: | (3beta,7alpha,14beta,17alpha)-cholest-5-ene-3,7-diol |
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 | | 6FX | | Name: | methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate | | Formula: | C14 H10 N2 O4 | | SMILES: | COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2 | | InChi: | InChI=1S/C14H10N2O4/c1-19-14(18)9-4-8(6-15-7-9)12-5-10-11(20-12)2-3-16-13(10)17/h2-7H,1H3,(H,16,17) | | Synonyms: | methyl 5-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)nicotinate | | Definition date: | 2016-05-11 | | Last modified: | 2021-03-13 | | Release date: | 2017-03-01 | | Identifier: | methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate |
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 | | HE0 | | Name: | (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C17 H28 N4 O7 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)CCCCC(C(=O)O)NC(=O)CN | | InChi: | InChI=1S/C17H28N4O7S/c1-17(2)13(16(27)28)21-14(29-17)10(8-22)20-11(23)6-4-3-5-9(15(25)26)19-12(24)7-18/h8-10,13-14,21H,3-7,18H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)(H,27,28)/t9-,10+,13-,14+/m0/s1 | | Synonyms: | Penicillin analog, bound/open form | | Definition date: | 2012-02-28 | | Last modified: | 2021-03-13 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | HE3 | | Name: | 2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE | | Formula: | C14 H22 N4 O8 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCC=2SC3(Nc1nc(ncc1CN3C=2C)C)C(O)C | | InChi: | InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)17-13-11(7-18(8)14)6-15-10(3)16-13/h6,9,19H,4-5,7H2,1-3H3,(H,23,24)(H,15,16,17)(H2,20,21,22)/t9-,14-/m0/s1 | | Synonyms: | 2-{(9AS)-9A-[(1S)-1-HYDROXYETHYL]-2,7-DIMETHYL-9A,10-DIHYDRO-5H-PYRIMIDO[4,5-D][1,3]THIAZOLO[3,2-A]PYRIMIDIN-8-YL}ETHYL TRIHYDROGEN DIPHOSPHATE | | Definition date: | 2003-04-10 | | Last modified: | 2021-03-13 | | Identifier: | 2-{(9aS)-9a-[(1S)-1-hydroxyethyl]-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl}ethyl trihydrogen diphosphate |
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 | | JN3 | | Name: | CHENODEOXYCHOLIC ACID | | Formula: | C24 H40 O4 | | SMILES: | O=C(O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | | Synonyms: | (3ALPHA,5ALPHA,7BETA,8ALPHA,17ALPHA)-3,7-DIHYDROXYCHOLAN-24-OIC ACID | | Definition date: | 2007-01-02 | | Last modified: | 2021-03-13 | | Identifier: | (3alpha,5alpha,7beta,8alpha,17alpha)-3,7-dihydroxycholan-24-oic acid |
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 | | 6O6 | | Name: | Plicamycin, mithramycin analogue MTM SA-Trp | | Formula: | C61 H82 N2 O24 | | SMILES: | C1(Cc5c(C(C1OC2OC(C(C(C2)OC3OC(C(C(C3)OC4OC(C(C(C4)(C)O)O)C)O)C)O)C)=O)c(c6c(c5)cc(c(c6O)C)OC7CC(C(O)C(C)O7)OC8CC(O)C(O)C(O8)C)O)C(OC)C(NC(Cc9cnc%10c9cccc%10)C(OC)=O)=O | | InChi: | InChI=1S/C61H82N2O24/c1-24-38(83-43-19-39(51(67)26(3)79-43)84-42-18-37(64)50(66)25(2)78-42)17-31-14-30-15-34(57(76-8)59(73)63-36(60(74)77-9)16-32-23-62-35-13-11-10-12-33(32)35)56(55(71)48(30)54(70)47(31)49(24)65)87-45-21-40(52(68)28(5)81-45)85-44-20-41(53(69)27(4)80-44)86-46-22-61(7,75)58(72)29(6)82-46/h10-14,17,23,25-29,34,36-37,39-46,50-53,56-58,62,64-70,72,75H,15-16,18-22H2,1-9H3,(H,63,73)/t25-,26-,27-,28-,29-,34-,36+,37-,39-,40-,41-,42+,43+,44+,45+,46+,50-,51-,52-,53+,56+,57+,58-,61+/m1/s1 | | Synonyms: | methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-(1H-indol-3-yl)propanoate (non-preferred name) | | Definition date: | 2016-05-12 | | Last modified: | 2021-03-13 | | Release date: | 2016-09-14 | | Identifier: | methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-(1H-indol-3-yl)propanoate (non-preferred name) |
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 | | 739 | | Name: | 2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE | | Formula: | C23 H39 N3 O6 S2 | | SMILES: | O=S(=O)(C)CCC(C(=O)O)NC(=O)C(OCC(NCC(N)CS)C(C)CC)Cc1ccccc1 | | InChi: | InChI=1S/C23H39N3O6S2/c1-4-16(2)20(25-13-18(24)15-33)14-32-21(12-17-8-6-5-7-9-17)22(27)26-19(23(28)29)10-11-34(3,30)31/h5-9,16,18-21,25,33H,4,10-15,24H2,1-3H3,(H,26,27)(H,28,29)/t16-,18+,19-,20+,21-/m0/s1 | | Synonyms: | L-739,750 | | Definition date: | 2001-06-14 | | Last modified: | 2021-03-13 | | Identifier: | (2S)-2-{[(2S)-2-{[(2S,3S)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanoyl]amino}-4-(methylsulfonyl)butanoic acid |
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 | | 73A | | Name: | (2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide | | Formula: | C22 H23 Cl N6 O2 | | SMILES: | c21ncnc(c1c(c(/C=C(/C(NC(C)C)=O)C#N)n2CCOC)c3ccc(cc3)Cl)N | | InChi: | InChI=1S/C22H23ClN6O2/c1-13(2)28-22(30)15(11-24)10-17-18(14-4-6-16(23)7-5-14)19-20(25)26-12-27-21(19)29(17)8-9-31-3/h4-7,10,12-13H,8-9H2,1-3H3,(H,28,30)(H2,25,26,27)/b15-10+ | | Synonyms: | Rao-IV-151, unbound form | | Definition date: | 2016-08-18 | | Last modified: | 2021-03-13 | | Release date: | 2017-08-23 | | Identifier: | (2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide |
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 | | 73T | | Name: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide | | Formula: | C32 H30 F2 N4 O4 | | SMILES: | C6c5c4c(c(C(N)=O)cc(c4c1cccc(c1C)N3C(=O)N(C)c2c(cccc2F)C3=O)F)nc5CC(C6)C(C)(O)C | | InChi: | InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1 | | Synonyms: | (2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide | | Definition date: | 2016-08-19 | | Last modified: | 2021-03-13 | | Release date: | 2017-03-08 | | Identifier: | (2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide |
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 | | 756 | | Name: | [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone | | Formula: | C22 H21 N3 O2 | | SMILES: | O=C(c1ccc2oc(cc2c1)C)N3CC(CCC3)c4nc5c(n4)cccc5 | | InChi: | InChI=1S/C22H21N3O2/c1-14-11-17-12-15(8-9-20(17)27-14)22(26)25-10-4-5-16(13-25)21-23-18-6-2-3-7-19(18)24-21/h2-3,6-9,11-12,16H,4-5,10,13H2,1H3,(H,23,24)/t16-/m0/s1 | | Synonyms: | 2-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-1H-1,3-benzodiazole | | Definition date: | 2016-04-04 | | Last modified: | 2021-03-13 | | Release date: | 2017-01-25 | | Identifier: | [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone |
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 | | 75Z | | Name: | N-[2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide | | Formula: | C24 H19 F N6 O3 | | SMILES: | c4(cc(C(NCCc3nc(c1ccc2c(c1)ncn2)nn3)=O)c(O)c(c4)O)c5ccc(cc5)F | | InChi: | InChI=1S/C24H19FN6O3/c25-16-4-1-13(2-5-16)15-9-17(22(33)20(32)11-15)24(34)26-8-7-21-29-23(31-30-21)14-3-6-18-19(10-14)28-12-27-18/h1-6,9-12,32-33H,7-8H2,(H,26,34)(H,27,28)(H,29,30,31) | | Synonyms: | N-{2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-08-30 | | Identifier: | N-{2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide |
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 | | 763 | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide | | Formula: | C24 H22 F N3 O4 | | SMILES: | c3c(C(NCCCOCn1c2c(cc1)cncc2)=O)c(O)c(O)cc3c4ccc(cc4)F | | InChi: | InChI=1S/C24H22FN3O4/c25-19-4-2-16(3-5-19)18-12-20(23(30)22(29)13-18)24(31)27-8-1-11-32-15-28-10-7-17-14-26-9-6-21(17)28/h2-7,9-10,12-14,29-30H,1,8,11,15H2,(H,27,31) | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-{3-[(1H-pyrrolo[3,2-c]pyridin-1-yl)methoxy]propyl}[1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-{3-[(1H-pyrrolo[3,2-c]pyridin-1-yl)methoxy]propyl}[1,1'-biphenyl]-3-carboxamide |
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 | | 768 | | Name: | (2R)-1-(2,4-dichlorophenoxy)-3-[(2E)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol | | Formula: | C23 H28 Cl2 N4 O2 | | SMILES: | Clc4ccc(OCC(O)CN1c3ccccc3N(C1=[N@H])CCN2CCCCC2)c(Cl)c4 | | InChi: | InChI=1S/C23H28Cl2N4O2/c24-17-8-9-22(19(25)14-17)31-16-18(30)15-29-21-7-3-2-6-20(21)28(23(29)26)13-12-27-10-4-1-5-11-27/h2-3,6-9,14,18,26,30H,1,4-5,10-13,15-16H2/b26-23+/t18-/m1/s1 | | Synonyms: | 1-(2,4-dichlorophenoxy)-3-{2-imino-3-[2-(1-piperidinyl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}-2-propanol | | Definition date: | 2009-06-02 | | Last modified: | 2021-03-13 | | Identifier: | (2R)-1-(2,4-dichlorophenoxy)-3-[(2E)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol |
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 | | 769 | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide | | Formula: | C25 H22 F N3 O3 | | SMILES: | c4c(c1cc(c(O)c(c1)O)C(NCCC=CCn2c3c(cc2)cncc3)=O)ccc(c4)F | | InChi: | InChI=1S/C25H22FN3O3/c26-20-6-4-17(5-7-20)19-14-21(24(31)23(30)15-19)25(32)28-10-2-1-3-12-29-13-9-18-16-27-11-8-22(18)29/h1,3-9,11,13-16,30-31H,2,10,12H2,(H,28,32)/b3-1+ | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)pent-3-en-1-yl][1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)pent-3-en-1-yl][1,1'-biphenyl]-3-carboxamide |
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 | | 76B | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-[5-(2-methylpyridin-4-yl)-4H-1,2,4-triazol-3-yl]ethyl]benzamide | | Formula: | C23 H20 F N5 O3 | | SMILES: | n4c(c1ccnc(c1)C)nc(CCNC(c2c(O)c(O)cc(c2)c3ccc(cc3)F)=O)n4 | | InChi: | InChI=1S/C23H20FN5O3/c1-13-10-15(6-8-25-13)22-27-20(28-29-22)7-9-26-23(32)18-11-16(12-19(30)21(18)31)14-2-4-17(24)5-3-14/h2-6,8,10-12,30-31H,7,9H2,1H3,(H,26,32)(H,27,28,29) | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-{2-[3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-{2-[3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,1'-biphenyl]-3-carboxamide |
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 | | 76G | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide | | Formula: | C24 H21 F N2 O3 S | | SMILES: | N(CCCCc2cc1c(cncc1)s2)C(c3c(c(cc(c3)c4ccc(cc4)F)O)O)=O | | InChi: | InChI=1S/C24H21FN2O3S/c25-18-6-4-15(5-7-18)17-12-20(23(29)21(28)13-17)24(30)27-9-2-1-3-19-11-16-8-10-26-14-22(16)31-19/h4-8,10-14,28-29H,1-3,9H2,(H,27,30) | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-[4-(thieno[2,3-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-07 | | Last modified: | 2021-03-13 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-[4-(thieno[2,3-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide |
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 | | 76S | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide | | Formula: | C22 H18 F N5 O3 | | SMILES: | c3c(C(NCCc2nc(c1ccncc1)nn2)=O)c(O)c(O)cc3c4ccc(cc4)F | | InChi: | InChI=1S/C22H18FN5O3/c23-16-3-1-13(2-4-16)15-11-17(20(30)18(29)12-15)22(31)25-10-7-19-26-21(28-27-19)14-5-8-24-9-6-14/h1-6,8-9,11-12,29-30H,7,10H2,(H,25,31)(H,26,27,28) | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-{2-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]ethyl}[1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-07 | | Last modified: | 2021-03-13 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-{2-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]ethyl}[1,1'-biphenyl]-3-carboxamide |
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 | | 778 | | Name: | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE | | Formula: | C22 H20 Cl N5 O | | SMILES: | N#Cc1ccc(cc1)Cn2c(cnc2)CN4CC(=O)N(c3cccc(Cl)c3)CC4 | | InChi: | InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2 | | Synonyms: | L-778,123 | | Definition date: | 2004-02-04 | | Last modified: | 2021-03-13 | | Identifier: | 4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile |
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 | | 79M | | Name: | (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate | | Formula: | C19 H36 O4 | | SMILES: | O=C(OCC(O)CO)CCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m1/s1 | | Synonyms: | [(2R)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate | | Definition date: | 2013-06-05 | | Last modified: | 2021-03-13 | | Release date: | 2014-06-18 | | Identifier: | (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate |
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 | | 7A8 | | Name: | (1R)-DIMETHYL-(4-METHYL-CYCLOHEX-3-ENYL)-AMINE | | Formula: | C9 H17 N | | SMILES: | N(C)(C)C1CC=C(C)CC1 | | InChi: | InChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h4,9H,5-7H2,1-3H3/t9-/m0/s1 | | Synonyms: | (4R)-7AZA-7,8-DIHYDROLIMONENE | | Definition date: | 2002-11-08 | | Last modified: | 2021-03-13 | | Identifier: | (1R)-N,N,4-trimethylcyclohex-3-en-1-amine |
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