 | | S86 | | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexane-1-carboxamide | | Formula: | C24 H22 Cl F2 N3 O2 S | | SMILES: | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCC(F)(F)CC3)Oc4ccc(Cl)cc4)c2 | | InChi: | InChI=1S/C24H22ClF2N3O2S/c25-17-4-6-19(7-5-17)32-23(8-10-24(26,27)11-9-23)22(31)30-18-3-1-2-15(12-18)16-13-20(21(28)29)33-14-16/h1-7,12-14H,8-11H2,(H3,28,29)(H,30,31) | | Definition date: | 2022-12-14 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexane-1-carboxamide |
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 | | S8O | | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide | | Formula: | C24 H24 Cl N3 O2 S | | SMILES: | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccc(Cl)cc4)c2 | | InChi: | InChI=1S/C24H24ClN3O2S/c25-18-7-9-20(10-8-18)30-24(11-2-1-3-12-24)23(29)28-19-6-4-5-16(13-19)17-14-21(22(26)27)31-15-17/h4-10,13-15H,1-3,11-12H2,(H3,26,27)(H,28,29) | | Definition date: | 2022-12-14 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide |
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 | | TG9 | | Name: | 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide | | Formula: | C17 H21 N3 S | | SMILES: | NC(=N)c1sc(NC2CCCCC2)c(c1)c3ccccc3 | | InChi: | InChI=1S/C17H21N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1,3-4,7-8,11,13,20H,2,5-6,9-10H2,(H3,18,19) | | Definition date: | 2023-01-05 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide |
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 | | V0R | | Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol | | Formula: | C17 H16 N2 O3 | | SMILES: | Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3cccnc3 | | InChi: | InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3/t17-/m1/s1 | | Definition date: | 2023-02-20 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol |
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 | | V2O | | Name: | 5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione | | Formula: | C17 H19 F N2 O6 S | | SMILES: | O=C1CN(c2c(F)c3cc(OCCC(C)(C)O)ccc3cc2O)S(=O)(=O)N1 | | InChi: | InChI=1S/C17H19FN2O6S/c1-17(2,23)5-6-26-11-4-3-10-7-13(21)16(15(18)12(10)8-11)20-9-14(22)19-27(20,24)25/h3-4,7-8,21,23H,5-6,9H2,1-2H3,(H,19,22) | | Definition date: | 2023-05-09 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | 5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione |
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 | | WOL | | Name: | 12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione | | Formula: | C24 H27 N O2 | | SMILES: | O=C1CCC2C3CCC4=CC(=O)CCC4(C)C3C=C(c3cccnc3)C21C | | InChi: | InChI=1S/C24H27NO2/c1-23-10-9-17(26)12-16(23)5-6-18-19-7-8-22(27)24(19,2)20(13-21(18)23)15-4-3-11-25-14-15/h3-4,11-14,18-19,21H,5-10H2,1-2H3/t18-,19-,21-,23-,24+/m0/s1 | | Definition date: | 2022-10-06 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | 12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione |
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 | | WWQ | | Name: | (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide | | Formula: | C30 H34 N6 O3 | | SMILES: | CN1CCN(CC1)c1cc(ncc1)C(=O)N1CCCC(C1)C(=O)Nc1cc(ccc1)c1ccc(cc1)C(N)=O | | InChi: | InChI=1S/C30H34N6O3/c1-34-14-16-35(17-15-34)26-11-12-32-27(19-26)30(39)36-13-3-5-24(20-36)29(38)33-25-6-2-4-23(18-25)21-7-9-22(10-8-21)28(31)37/h2,4,6-12,18-19,24H,3,5,13-17,20H2,1H3,(H2,31,37)(H,33,38)/t24-/m0/s1 | | Definition date: | 2023-05-19 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide |
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 | | X6H | | Name: | (4aM,9M)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,5-dihydropyrimido[1,2-a]purine-6,10-dione | | Formula: | C13 H14 N5 O8 P | | SMILES: | O=P(O)(O)OCC1OC(CC1O)n1cnc2c1N=C1NC(=O)C=CN1C2=O | | InChi: | InChI=1S/C13H14N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h1-2,5-7,9,19H,3-4H2,(H,15,16,20)(H2,22,23,24)/t6-,7+,9+/m0/s1 | | Definition date: | 2022-10-31 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | (4aM,9M)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,5-dihydropyrimido[1,2-a]purine-6,10-dione |
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 | | P8F | | Name: | Pentacycline | | Formula: | C29 H30 F N3 O7 | | SMILES: | CN(C)[CH]1[CH]2C[CH]3Cc4cc5ccc(CN6CC(F)C6)cc5c(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O | | InChi: | InChI=1S/C29H30FN3O7/c1-32(2)22-18-8-15-7-14-6-13-4-3-12(9-33-10-16(30)11-33)5-17(13)23(34)19(14)24(35)20(15)26(37)29(18,40)27(38)21(25(22)36)28(31)39/h3-6,15-16,18,22,34,36-37,40H,7-11H2,1-2H3,(H2,31,39)/t15-,18-,22-,29-/m0/s1 | | Synonyms: | (4S,4aS,5aR,14aS)-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14a-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide | | Definition date: | 2023-02-09 | | Last modified: | 2023-07-25 | | Release date: | 2023-07-26 | | Identifier: | (4~{S},4~{a}~{S},5~{a}~{R},14~{a}~{S})-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14~{a}-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4~{a},5,5~{a},6-tetrahydro-4~{H}-pentacene-2-carboxamide |
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 | | YHB | | Name: | N-(2-{4-[(6M)-3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}pyridine-4-carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide | | Formula: | C43 H50 N10 O5 S | | SMILES: | Cc1ncsc1c1ccc(cc1)C(C)NC(=O)C1CC(O)CN1C(=O)C(NC(=O)c1ccnc(c1)N1CCN(CC1)c1cc(nnc1N)c1ccccc1O)C(C)(C)C | | InChi: | InChI=1S/C43H50N10O5S/c1-25(27-10-12-28(13-11-27)37-26(2)46-24-59-37)47-41(57)34-21-30(54)23-53(34)42(58)38(43(3,4)5)48-40(56)29-14-15-45-36(20-29)52-18-16-51(17-19-52)33-22-32(49-50-39(33)44)31-8-6-7-9-35(31)55/h6-15,20,22,24-25,30,34,38,54-55H,16-19,21,23H2,1-5H3,(H2,44,50)(H,47,57)(H,48,56)/t25-,30+,34-,38+/m0/s1 | | Definition date: | 2023-02-03 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | N-(2-{4-[(6M)-3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}pyridine-4-carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide |
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 | | ZQK | | Name: | Dehydroepiandrosterone sulfate | | Formula: | C19 H28 O5 S | | SMILES: | O=S(=O)(O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1 | | InChi: | InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14+,15+,16+,18+,19+/m1/s1 | | Synonyms: | 17-oxo-14beta-androst-5-en-3beta-yl hydrogen sulfate | | Definition date: | 2023-03-20 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 17-oxo-14beta-androst-5-en-3beta-yl hydrogen sulfate |
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 | | ZQW | | Name: | N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine | | Formula: | C28 H24 N2 O5 | | SMILES: | O=C(O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 | | InChi: | InChI=1S/C28H24N2O5/c31-26(32)18-17-24(30-27(33)22-14-8-10-19-9-4-5-13-21(19)22)28(34)29-23-15-6-7-16-25(23)35-20-11-2-1-3-12-20/h1-16,24H,17-18H2,(H,29,34)(H,30,33)(H,31,32)/t24-/m0/s1 | | Definition date: | 2023-03-22 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine |
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 | | ZQZ | | Name: | N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine | | Formula: | C29 H26 N2 O6 | | SMILES: | O=C(O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1cc(OC)ccc1 | | InChi: | InChI=1S/C29H26N2O6/c1-36-20-10-7-11-21(18-20)37-26-15-5-4-14-24(26)30-29(35)25(16-17-27(32)33)31-28(34)23-13-6-9-19-8-2-3-12-22(19)23/h2-15,18,25H,16-17H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m0/s1 | | Definition date: | 2023-03-22 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine |
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 | | ZRU | | Name: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C17 H19 N7 O2 | | SMILES: | COc1ncccc1Nc1cc(NC)n2ncc(c2n1)C(=O)NC1CC1 | | InChi: | InChI=1S/C17H19N7O2/c1-18-14-8-13(22-12-4-3-7-19-17(12)26-2)23-15-11(9-20-24(14)15)16(25)21-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,21,25)(H,22,23) | | Definition date: | 2023-03-28 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | ZS3 | | Name: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C21 H18 F2 N8 O2 | | SMILES: | Fc1cccnc1N1C=CC=C(Nc2cc(NC)n3ncc(c3n2)C(=O)NC2CC2F)C1=O | | InChi: | InChI=1S/C21H18F2N8O2/c1-24-17-9-16(29-18-11(10-26-31(17)18)20(32)28-15-8-13(15)23)27-14-5-3-7-30(21(14)33)19-12(22)4-2-6-25-19/h2-7,9-10,13,15,24H,8H2,1H3,(H,27,29)(H,28,32)/t13-,15+/m0/s1 | | Definition date: | 2023-03-28 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | ZSB | | Name: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C23 H24 N8 O3 | | SMILES: | COC1CCC1NC(=O)c1cnn2c(cc(nc12)NC1=CC=CN(c2ccccn2)C1=O)NC | | InChi: | InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1 | | Synonyms: | TAK-279 | | Definition date: | 2023-03-28 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | ZTQ | | Name: | (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid | | Formula: | C15 H14 O3 | | SMILES: | CC(Oc1ccc(cc1)c1ccccc1)C(=O)O | | InChi: | InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid |
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 | | ZU7 | | Name: | N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide | | Formula: | C12 H16 F N3 O | | SMILES: | O=C(CN1CCNCC1)Nc1ccc(F)cc1 | | InChi: | InChI=1S/C12H16FN3O/c13-10-1-3-11(4-2-10)15-12(17)9-16-7-5-14-6-8-16/h1-4,14H,5-9H2,(H,15,17) | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide |
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 | | ZUC | | Name: | 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide | | Formula: | C13 H11 F N2 O2 | | SMILES: | O=C(Nc1c(C)cccc1O)c1ccncc1F | | InChi: | InChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18) | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide |
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 | | ZUG | | Name: | N,N-dimethylpyridine-3-sulfonamide | | Formula: | C7 H10 N2 O2 S | | SMILES: | O=S(=O)(c1cccnc1)N(C)C | | InChi: | InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | N,N-dimethylpyridine-3-sulfonamide |
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 | | ZUW | | Name: | 1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one | | Formula: | C11 H13 N O2 | | SMILES: | CC(=O)N1Cc2ccccc2OCC1 | | InChi: | InChI=1S/C11H13NO2/c1-9(13)12-6-7-14-11-5-3-2-4-10(11)8-12/h2-5H,6-8H2,1H3 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one |
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 | | ZUZ | | Name: | methyl N-(cyclohexanecarbonyl)glycinate | | Formula: | C10 H17 N O3 | | SMILES: | O=C(NCC(=O)OC)C1CCCCC1 | | InChi: | InChI=1S/C10H17NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,13) | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | methyl N-(cyclohexanecarbonyl)glycinate |
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 | | ZV2 | | Name: | 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide | | Formula: | C11 H11 F N3 O S | | SMILES: | Nc1scc[n]1CC(=O)Nc2ccc(F)cc2 | | InChi: | InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16) | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide |
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 | | ZV5 | | Name: | (5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C1NC(=O)NC21CCCNC2 | | InChi: | InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m1/s1 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione |
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 | | ZV8 | | Name: | 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine | | Formula: | C11 H17 N3 | | SMILES: | CC(C)(C)c1ncc2CNCCc2n1 | | InChi: | InChI=1S/C11H17N3/c1-11(2,3)10-13-7-8-6-12-5-4-9(8)14-10/h7,12H,4-6H2,1-3H3 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
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