 | | XB8 | | Name: | ~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine | | Formula: | C28 H32 F N O2 | | SMILES: | COc1cccc(CN(CCCc2ccccc2F)C3CCC3)c1OCc4ccccc4 | | InChi: | InChI=1S/C28H32FNO2/c1-31-27-18-7-13-24(28(27)32-21-22-10-3-2-4-11-22)20-30(25-15-8-16-25)19-9-14-23-12-5-6-17-26(23)29/h2-7,10-13,17-18,25H,8-9,14-16,19-21H2,1H3 | | Definition date: | 2023-02-06 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | ~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine |
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 | | YWI | | Name: | 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine | | Formula: | C26 H28 Br N6 O8 P | | SMILES: | Brc1cccc(c1)c1cccc(c1)C(=O)NCCCOP(=O)(O)OCC1OC(CC1O)n1cnc2c1N=C(N)NC2=O | | InChi: | InChI=1S/C26H28BrN6O8P/c27-18-7-2-5-16(11-18)15-4-1-6-17(10-15)24(35)29-8-3-9-39-42(37,38)40-13-20-19(34)12-21(41-20)33-14-30-22-23(33)31-26(28)32-25(22)36/h1-2,4-7,10-11,14,19-21,34H,3,8-9,12-13H2,(H,29,35)(H,37,38)(H3,28,31,32,36)/t19-,20+,21+/m0/s1 | | Definition date: | 2023-03-01 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine |
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 | | YZI | | Name: | (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide | | Formula: | C19 H27 Cl F N5 O2 | | SMILES: | O=C(N1CCN(C)CC1)N1CC(CC(CN)C1)C(=O)Nc1ccc(Cl)c(F)c1 | | InChi: | InChI=1S/C19H27ClFN5O2/c1-24-4-6-25(7-5-24)19(28)26-11-13(10-22)8-14(12-26)18(27)23-15-2-3-16(20)17(21)9-15/h2-3,9,13-14H,4-8,10-12,22H2,1H3,(H,23,27)/t13-,14-/m0/s1 | | Definition date: | 2023-03-06 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide |
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 | | ZNF | | Name: | (3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide | | Formula: | C20 H28 Cl F N4 O2 | | SMILES: | CC1CN(CC(C)N1C)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)c(F)c1 | | InChi: | InChI=1S/C20H28ClFN4O2/c1-13-10-26(11-14(2)24(13)3)20(28)25-8-4-5-15(12-25)19(27)23-16-6-7-17(21)18(22)9-16/h6-7,9,13-15H,4-5,8,10-12H2,1-3H3,(H,23,27)/t13-,14+,15-/m0/s1 | | Definition date: | 2023-03-17 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | (3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide |
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 | | Z1I | | Name: | (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide | | Formula: | C21 H31 Cl F N5 O2 | | SMILES: | CC1CN(CC(C)N1C)C(=O)N1CC(CC(CN)C1)C(=O)Nc1ccc(Cl)c(F)c1 | | InChi: | InChI=1S/C21H31ClFN5O2/c1-13-9-27(10-14(2)26(13)3)21(30)28-11-15(8-24)6-16(12-28)20(29)25-17-4-5-18(22)19(23)7-17/h4-5,7,13-16H,6,8-12,24H2,1-3H3,(H,25,29)/t13-,14+,15-,16-/m0/s1 | | Definition date: | 2023-03-06 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide |
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 | | Z1Z | | Name: | (3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide | | Formula: | C20 H27 Cl F N5 O4 | | SMILES: | O=C(N1CC(CC(CO)C1)C(=O)Nc1ccc(Cl)c(F)c1)N1CCN(CC1)C(=O)CN | | InChi: | InChI=1S/C20H27ClFN5O4/c21-16-2-1-15(8-17(16)22)24-19(30)14-7-13(12-28)10-27(11-14)20(31)26-5-3-25(4-6-26)18(29)9-23/h1-2,8,13-14,28H,3-7,9-12,23H2,(H,24,30)/t13-,14+/m1/s1 | | Definition date: | 2023-03-06 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | (3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide |
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 | | Z2O | | Name: | {4-[(3S,5R)-3-[(4-chloro-3-fluorophenyl)carbamoyl]-5-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl}acetic acid | | Formula: | C20 H26 Cl F N4 O5 | | SMILES: | OC(=O)CN1CCN(CC1)C(=O)N1CC(CC(CO)C1)C(=O)Nc1ccc(Cl)c(F)c1 | | InChi: | InChI=1S/C20H26ClFN4O5/c21-16-2-1-15(8-17(16)22)23-19(30)14-7-13(12-27)9-26(10-14)20(31)25-5-3-24(4-6-25)11-18(28)29/h1-2,8,13-14,27H,3-7,9-12H2,(H,23,30)(H,28,29)/t13-,14+/m1/s1 | | Definition date: | 2023-03-06 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | {4-[(3S,5R)-3-[(4-chloro-3-fluorophenyl)carbamoyl]-5-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl}acetic acid |
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 | | Z3F | | Name: | (3S)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide | | Formula: | C18 H24 Cl F N4 O2 | | SMILES: | O=C(N1CCN(C)CC1)N1CCCC(C1)C(=O)Nc1ccc(Cl)c(F)c1 | | InChi: | InChI=1S/C18H24ClFN4O2/c1-22-7-9-23(10-8-22)18(26)24-6-2-3-13(12-24)17(25)21-14-4-5-15(19)16(20)11-14/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,21,25)/t13-/m0/s1 | | Definition date: | 2023-03-06 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | (3S)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide |
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 | | Y9H | | Name: | (5S)-2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole | | Formula: | C17 H19 F N4 | | SMILES: | FCCC1CCN(CC1)c1nc2nc3ccccc3n2cc1 | | InChi: | InChI=1S/C17H19FN4/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16/h1-4,8,12-13H,5-7,9-11H2 | | Definition date: | 2023-01-18 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | (5S)-2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole |
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 | | XV0 | | Name: | 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide | | Formula: | C23 H16 N6 O | | SMILES: | N#Cc1ccc(cc1)Nc1nc(ccn1)C(=O)Nc1cnccc1c1ccccc1 | | InChi: | InChI=1S/C23H16N6O/c24-14-16-6-8-18(9-7-16)27-23-26-13-11-20(29-23)22(30)28-21-15-25-12-10-19(21)17-4-2-1-3-5-17/h1-13,15H,(H,28,30)(H,26,27,29) | | Definition date: | 2022-12-13 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide |
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 | | L7Z | | Name: | 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione | | Formula: | C14 H16 O2 | | SMILES: | Cc1ccc(CC2(C)C(=O)CCC2=O)cc1 | | InChi: | InChI=1S/C14H16O2/c1-10-3-5-11(6-4-10)9-14(2)12(15)7-8-13(14)16/h3-6H,7-9H2,1-2H3 | | Definition date: | 2022-11-16 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione |
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 | | L8U | | Name: | 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone | | Formula: | C8 H6 Br2 O2 | | SMILES: | Oc1cc(Br)ccc1C(=O)CBr | | InChi: | InChI=1S/C8H6Br2O2/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,11H,4H2 | | Definition date: | 2022-11-16 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone |
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 | | J29 | | Name: | 2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine | | Formula: | C27 H33 N9 O2 S2 | | SMILES: | CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(nc4)[S](=O)(=O)N5CCN(C)CC5 | | InChi: | InChI=1S/C27H33N9O2S2/c1-4-9-36(27-31-21(17-39-27)26-32-23(28)15-24(29)33-26)22-14-19(6-5-18(22)2)20-7-8-25(30-16-20)40(37,38)35-12-10-34(3)11-13-35/h5-8,14-17H,4,9-13H2,1-3H3,(H4,28,29,32,33) | | Definition date: | 2022-04-25 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine |
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 | | J5U | | Name: | 2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine | | Formula: | C29 H37 N9 S | | SMILES: | CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(CCN5CCN(C)CC5)nc4 | | InChi: | InChI=1S/C29H37N9S/c1-4-10-38(29-33-24(19-39-29)28-34-26(30)17-27(31)35-28)25-16-21(6-5-20(25)2)22-7-8-23(32-18-22)9-11-37-14-12-36(3)13-15-37/h5-8,16-19H,4,9-15H2,1-3H3,(H4,30,31,34,35) | | Definition date: | 2022-04-25 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine |
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 | | J6M | | Name: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine | | Formula: | C28 H34 N8 O2 S2 | | SMILES: | CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(cc4)[S](=O)(=O)N5CCN(C)CC5 | | InChi: | InChI=1S/C28H34N8O2S2/c1-4-11-36(28-31-23(18-39-28)27-32-25(29)17-26(30)33-27)24-16-21(6-5-19(24)2)20-7-9-22(10-8-20)40(37,38)35-14-12-34(3)13-15-35/h5-10,16-18H,4,11-15H2,1-3H3,(H4,29,30,32,33) | | Definition date: | 2022-04-25 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine |
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 | | J7I | | Name: | 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine | | Formula: | C29 H36 N8 O3 S2 | | SMILES: | CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(c(OC)c4)[S](=O)(=O)N5CCN(C)CC5 | | InChi: | InChI=1S/C29H36N8O3S2/c1-5-10-37(29-32-22(18-41-29)28-33-26(30)17-27(31)34-28)23-15-20(7-6-19(23)2)21-8-9-25(24(16-21)40-4)42(38,39)36-13-11-35(3)12-14-36/h6-9,15-18H,5,10-14H2,1-4H3,(H4,30,31,33,34) | | Definition date: | 2022-04-25 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine |
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 | | J7W | | Name: | N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | | Formula: | C27 H31 N9 O S | | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5nc(N)cc(N)n5)c3 | | InChi: | InChI=1S/C27H31N9OS/c1-17-3-8-20(13-21(17)31-27-32-22(16-38-27)25-33-23(28)14-24(29)34-25)30-26(37)19-6-4-18(5-7-19)15-36-11-9-35(2)10-12-36/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,30,37)(H,31,32)(H4,28,29,33,34) | | Definition date: | 2022-04-25 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | ~{N}-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
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 | | J98 | | Name: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine | | Formula: | C29 H33 F3 N8 O2 S2 | | SMILES: | CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(cc4C(F)(F)F)[S](=O)(=O)N5CCN(C)CC5 | | InChi: | InChI=1S/C29H33F3N8O2S2/c1-4-9-40(28-35-23(17-43-28)27-36-25(33)16-26(34)37-27)24-14-19(6-5-18(24)2)21-8-7-20(15-22(21)29(30,31)32)44(41,42)39-12-10-38(3)11-13-39/h5-8,14-17H,4,9-13H2,1-3H3,(H4,33,34,36,37) | | Definition date: | 2022-04-25 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine |
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 | | J9I | | Name: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine | | Formula: | C26 H29 N7 S | | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)c3ccc(C)c(Nc4scc(n4)c5nccc(N)n5)c3 | | InChi: | InChI=1S/C26H29N7S/c1-18-3-6-21(20-7-4-19(5-8-20)16-33-13-11-32(2)12-14-33)15-22(18)29-26-30-23(17-34-26)25-28-10-9-24(27)31-25/h3-10,15,17H,11-14,16H2,1-2H3,(H,29,30)(H2,27,28,31) | | Definition date: | 2022-04-25 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 4-(4-azanylpyrimidin-2-yl)-~{N}-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine |
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 | | I3R | | Name: | 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | | Formula: | C19 H15 Cl N4 O | | SMILES: | O=C(CCl)N1N=C(CC1c1cccc2nccnc21)c1ccccc1 | | InChi: | InChI=1S/C19H15ClN4O/c20-12-18(25)24-17(11-16(23-24)13-5-2-1-3-6-13)14-7-4-8-15-19(14)22-10-9-21-15/h1-10,17H,11-12H2/t17-/m1/s1 | | Definition date: | 2023-05-03 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
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 | | I8F | | Name: | (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid | | Formula: | C24 H34 N2 O4 | | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCCN2C(=O)CCC3CCCCC3 | | InChi: | InChI=1S/C24H34N2O4/c27-22(15-14-18-9-3-1-4-10-18)26-16-8-7-13-21(26)23(28)25-20(24(29)30)17-19-11-5-2-6-12-19/h2,5-6,11-12,18,20-21H,1,3-4,7-10,13-17H2,(H,25,28)(H,29,30)/t20-,21-/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid |
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 | | QAO | | Name: | 2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide | | Formula: | C23 H19 Cl2 F6 N3 O2 S | | SMILES: | FS(F)(F)(F)(F)c1ccc(cc1)N(C(=O)C(Cl)Cl)C(c1cccnc1)C(=O)NCCc1cccc(F)c1 | | InChi: | InChI=1S/C23H19Cl2F6N3O2S/c24-21(25)23(36)34(18-6-8-19(9-7-18)37(27,28,29,30)31)20(16-4-2-11-32-14-16)22(35)33-12-10-15-3-1-5-17(26)13-15/h1-9,11,13-14,20-21H,10,12H2,(H,33,35)/t20-/m1/s1 | | Definition date: | 2022-06-03 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2,2-dichloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide |
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 | | RBR | | Name: | rocuronium | | Formula: | C32 H53 N2 O4 | | SMILES: | C=CC[N+]1(CCCC1)C1CC2C3CCC4CC(O)C(CC4(C)C3CCC2(C)C1OC(C)=O)N1CCOCC1 | | InChi: | InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1 | | Definition date: | 2022-10-17 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 17alpha-(acetyloxy)-3alpha-hydroxy-2beta-(morpholin-4-yl)-16alpha-[1-(prop-2-en-1-yl)pyrrolidin-1-ium-1-yl]-5beta,8alpha,14beta-androstane |
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 | | A1W | | Name: | 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | | Formula: | C23 H19 Cl N2 O | | SMILES: | O=C(CCl)N1N=C(c2ccccc2)C(C1c1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C23H19ClN2O/c24-16-20(27)26-23(19-14-8-3-9-15-19)21(17-10-4-1-5-11-17)22(25-26)18-12-6-2-7-13-18/h1-15,21,23H,16H2/t21-,23-/m0/s1 | | Definition date: | 2023-04-20 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
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 | | OFU | | Name: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile | | Formula: | C23 H28 N7 O2 S | | SMILES: | C[CH](Oc1ccnc(n1)c2noc(n2)[C]3(C)CCCc4sc(N)c(C#N)c34)[CH]5CCC[NH+]5C | | InChi: | InChI=1S/C23H27N7O2S/c1-13(15-6-5-11-30(15)3)31-17-8-10-26-20(27-17)21-28-22(32-29-21)23(2)9-4-7-16-18(23)14(12-24)19(25)33-16/h8,10,13,15H,4-7,9,11,25H2,1-3H3/p+1/t13-,15-,23-/m0/s1 | | Definition date: | 2022-09-06 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | (4~{S})-2-azanyl-4-methyl-4-[3-[4-[(1~{S})-1-[(2~{S})-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile |
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