 | | 9F2 | | Name: | Ceftriaxone | | Formula: | C18 H18 N8 O7 S3 | | SMILES: | CON=C(C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)CSC3=NC(=O)C(=O)NN3C)c4csc(N)n4 | | InChi: | InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8+/t9-,15-/m1/s1 | | Definition date: | 2017-05-15 | | Last modified: | 2017-06-09 | | Release date: | 2017-06-14 | | Identifier: | (7~{R})-7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[2-methyl-5,6-bis(oxidanylidene)-1~{H}-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | 9FM | | Name: | N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide | | Formula: | C20 H33 N5 O6 S | | SMILES: | c1(ccc(c2nonc12)S(=O)(N(C)CC(=O)NCCOCCOCCCCCC)=O)NC | | InChi: | InChI=1S/C20H33N5O6S/c1-4-5-6-7-11-29-13-14-30-12-10-22-18(26)15-25(3)32(27,28)17-9-8-16(21-2)19-20(17)24-31-23-19/h8-9,21H,4-7,10-15H2,1-3H3,(H,22,26) | | Definition date: | 2017-05-05 | | Last modified: | 2017-06-09 | | Release date: | 2017-06-14 | | Identifier: | N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide |
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 | | 6SQ | | Name: | 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone | | Formula: | C20 H20 Cl N O2 | | SMILES: | CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(Cl)c3 | | InChi: | InChI=1S/C20H20ClNO2/c1-14(23)15-5-7-19(8-6-15)22-11-9-16(10-12-22)20(24)17-3-2-4-18(21)13-17/h2-8,13,16H,9-12H2,1H3 | | Definition date: | 2016-06-15 | | Last modified: | 2017-06-09 | | Release date: | 2017-06-14 | | Identifier: | 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone |
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 | | 6SR | | Name: | 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one | | Formula: | C21 H20 N2 O4 | | SMILES: | O=C1CCc2cc(ccc12)N3CCN(CC3)C(=O)c4ccc5OCOc5c4 | | InChi: | InChI=1S/C21H20N2O4/c24-18-5-1-14-11-16(3-4-17(14)18)22-7-9-23(10-8-22)21(25)15-2-6-19-20(12-15)27-13-26-19/h2-4,6,11-12H,1,5,7-10,13H2 | | Definition date: | 2016-06-15 | | Last modified: | 2017-06-09 | | Release date: | 2017-06-14 | | Identifier: | 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one |
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 | | 6XV | | Name: | 4-((4,5-dihydro-1H-imidazol-2-yl)amino)-N-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride | | Formula: | C19 H21 N7 O | | SMILES: | O=C(Nc1ccc(cc1)N=C2NCCN2)c3ccc(cc3)N=C4NCCN4 | | InChi: | InChI=1S/C19H21N7O/c27-17(13-1-3-15(4-2-13)25-18-20-9-10-21-18)24-14-5-7-16(8-6-14)26-19-22-11-12-23-19/h1-8H,9-12H2,(H,24,27)(H2,20,21,25)(H2,22,23,26) | | Definition date: | 2016-07-15 | | Last modified: | 2017-06-09 | | Release date: | 2017-06-14 | | Identifier: | 4-(imidazolidin-2-ylideneamino)-~{N}-[4-(imidazolidin-2-ylideneamino)phenyl]benzamide |
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 | | 6QQ | | Name: | 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile | | Formula: | C18 H17 B Cl N2 O6 | | SMILES: | CC(=O)CCCOc1nc(Oc2ccc3c(CO[B-]3(O)O)c2)c(Cl)cc1C#N | | InChi: | InChI=1S/C18H17BClN2O6/c1-11(23)3-2-6-26-17-12(9-21)8-16(20)18(22-17)28-14-4-5-15-13(7-14)10-27-19(15,24)25/h4-5,7-8,24-25H,2-3,6,10H2,1H3/q-1 | | Definition date: | 2016-05-25 | | Last modified: | 2017-06-06 | | Release date: | 2017-05-31 | | Identifier: | 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile |
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 | | 82O | | Name: | (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide | | Formula: | C28 H39 N5 O2 | | SMILES: | CC(C)C[CH]1C[CH](C1)c2nnc([CH]3CN(C[CH]3C(=O)Nc4ccc(C)cc4C)C(C)=O)n2C5CC5 | | InChi: | InChI=1S/C28H39N5O2/c1-16(2)10-20-12-21(13-20)26-30-31-27(33(26)22-7-8-22)23-14-32(19(5)34)15-24(23)28(35)29-25-9-6-17(3)11-18(25)4/h6,9,11,16,20-24H,7-8,10,12-15H2,1-5H3,(H,29,35)/t20-,21+,23-,24-/m0/s1 | | Definition date: | 2017-03-27 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | (3~{R},4~{R})-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-~{N}-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide |
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 | | MK6 | | Name: | (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid | | Formula: | C29 H31 N O6 S | | SMILES: | O=C(O)C1C2C1Cc3c2cnc(c3)OCc4cc(ccc4)c5c(cc(OCCCS(=O)(C)=O)cc5C)C | | InChi: | InChI=1S/C29H31NO6S/c1-17-10-22(35-8-5-9-37(3,33)34)11-18(2)26(17)20-7-4-6-19(12-20)16-36-25-14-21-13-23-27(24(21)15-30-25)28(23)29(31)32/h4,6-7,10-12,14-15,23,27-28H,5,8-9,13,16H2,1-3H3,(H,31,32)/t23-,27-,28+/m1/s1 | | Definition date: | 2016-11-22 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid |
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 | | 7OS | | Name: | (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid | | Formula: | C30 H35 F4 N O4 | | SMILES: | O(c5c(C(C)N4CCC(C3Oc2cc(C(C(C)C(O)=O)C1CC1)ccc2CC3)CC4)cc(cc5)F)C(F)(F)F | | InChi: | InChI=1S/C30H35F4NO4/c1-17(29(36)37)28(21-4-5-21)22-6-3-19-7-9-25(38-27(19)15-22)20-11-13-35(14-12-20)18(2)24-16-23(31)8-10-26(24)39-30(32,33)34/h3,6,8,10,15-18,20-21,25,28H,4-5,7,9,11-14H2,1-2H3,(H,36,37)/t17-,18-,25+,28-/m0/s1 | | Definition date: | 2016-11-28 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid |
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 | | 7TD | | Name: | N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide | | Formula: | C16 H21 N3 O4 | | SMILES: | C(C(NO)=O)(C(C)(C)N)NC(=O)c1ccc(OCC#CC)cc1 | | InChi: | InChI=1S/C16H21N3O4/c1-4-5-10-23-12-8-6-11(7-9-12)14(20)18-13(15(21)19-22)16(2,3)17/h6-9,13,22H,10,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1 | | Definition date: | 2016-12-05 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide |
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 | | 6OV | | Name: | 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide | | Formula: | C22 H33 N5 O2 | | SMILES: | C3CCCC(CC(C(N1CCCC1C(NCc2ccc(cc2)C(N)=[N@H])=O)=O)N)C3 | | InChi: | InChI=1S/C22H33N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h8-11,15,18-19H,1-7,12-14,23H2,(H3,24,25)(H,26,28)/t18-,19+/m1/s1 | | Definition date: | 2016-05-17 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide |
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 | | S5Z | | Name: | 4-phenyl-2-(sulfanylmethyl)benzoic acid | | Formula: | C14 H12 O2 S | | SMILES: | OC(=O)c1ccc(cc1CS)c2ccccc2 | | InChi: | InChI=1S/C14H12O2S/c15-14(16)13-7-6-11(8-12(13)9-17)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,15,16) | | Definition date: | 2016-05-21 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | 4-phenyl-2-(sulfanylmethyl)benzoic acid |
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 | | 8ZH | | Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide | | Formula: | C23 H24 Cl N5 O2 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)NC4CCNCC4)nc2 | | InChi: | InChI=1S/C23H24ClN5O2S/c1-14-4-2-7-18(24)20(14)29-22(31)19-13-26-23(32-19)28-17-6-3-5-15(12-17)21(30)27-16-8-10-25-11-9-16/h2-7,12-13,16,25H,8-11H2,1H3,(H,26,28)(H,27,30)(H,29,31) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide |
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 | | 8ZK | | Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide | | Formula: | C25 H28 Cl N5 O2 S | | SMILES: | CCc1cc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(c1)C(=O)NC4CCNCC4 | | InChi: | InChI=1S/C25H28ClN5O2S/c1-3-16-11-17(23(32)29-18-7-9-27-10-8-18)13-19(12-16)30-25-28-14-21(34-25)24(33)31-22-15(2)5-4-6-20(22)26/h4-6,11-14,18,27H,3,7-10H2,1-2H3,(H,28,30)(H,29,32)(H,31,33) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide |
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 | | 8ZN | | Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide | | Formula: | C24 H23 Cl F3 N5 O2 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)nc2 | | InChi: | InChI=1S/C24H23ClF3N5O2S/c1-13-3-2-4-18(25)20(13)33-22(35)19-12-30-23(36-19)32-17-10-14(9-15(11-17)24(26,27)28)21(34)31-16-5-7-29-8-6-16/h2-4,9-12,16,29H,5-8H2,1H3,(H,30,32)(H,31,34)(H,33,35) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide |
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 | | 8ZQ | | Name: | 2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide | | Formula: | C29 H29 Cl N6 O2 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)c4ccccc4N)C(=O)NC5CCNCC5)nc2 | | InChi: | InChI=1S/C29H29ClN6O2S/c1-17-5-4-7-23(30)26(17)36-28(38)25-16-33-29(39-25)35-21-14-18(22-6-2-3-8-24(22)31)13-19(15-21)27(37)34-20-9-11-32-12-10-20/h2-8,13-16,20,32H,9-12,31H2,1H3,(H,33,35)(H,34,37)(H,36,38) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | 2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide |
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 | | 8ZT | | Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide | | Formula: | C25 H28 Cl N5 O3 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)nc2 | | InChi: | InChI=1S/C25H28ClN5O3S/c1-17-3-2-4-21(26)23(17)29-24(32)22-16-27-25(35-22)28-18-13-19(30-5-9-33-10-6-30)15-20(14-18)31-7-11-34-12-8-31/h2-4,13-16H,5-12H2,1H3,(H,27,28)(H,29,32) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide |
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 | | 8ZW | | Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide | | Formula: | C22 H23 Cl N4 O4 S2 | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)[S](C)(=O)=O)N4CCOCC4)nc2 | | InChi: | InChI=1S/C22H23ClN4O4S2/c1-14-4-3-5-18(23)20(14)26-21(28)19-13-24-22(32-19)25-15-10-16(27-6-8-31-9-7-27)12-17(11-15)33(2,29)30/h3-5,10-13H,6-9H2,1-2H3,(H,24,25)(H,26,28) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide |
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 | | 8ZZ | | Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | | Formula: | C23 H23 Cl F N5 O2 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CCNC[CH]4F)nc2 | | InChi: | InChI=1S/C23H23ClFN5O2S/c1-13-4-2-7-16(24)20(13)30-22(32)19-12-27-23(33-19)28-15-6-3-5-14(10-15)21(31)29-18-8-9-26-11-17(18)25/h2-7,10,12,17-18,26H,8-9,11H2,1H3,(H,27,28)(H,29,31)(H,30,32)/t17-,18-/m1/s1 | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide |
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 | | 90B | | Name: | 2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide | | Formula: | C23 H23 Br Cl N5 O2 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(Br)cc(c3)C(=O)NC4CCNCC4)nc2 | | InChi: | InChI=1S/C23H23BrClN5O2S/c1-13-3-2-4-18(25)20(13)30-22(32)19-12-27-23(33-19)29-17-10-14(9-15(24)11-17)21(31)28-16-5-7-26-8-6-16/h2-4,9-12,16,26H,5-8H2,1H3,(H,27,29)(H,28,31)(H,30,32) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | 2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide |
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 | | 90E | | Name: | 2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide | | Formula: | C23 H22 Cl F2 N5 O2 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CCNCC4(F)F)nc2 | | InChi: | InChI=1S/C23H22ClF2N5O2S/c1-13-4-2-7-16(24)19(13)31-21(33)17-11-28-22(34-17)29-15-6-3-5-14(10-15)20(32)30-18-8-9-27-12-23(18,25)26/h2-7,10-11,18,27H,8-9,12H2,1H3,(H,28,29)(H,30,32)(H,31,33)/t18-/m1/s1 | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | 2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide |
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 | | 90K | | Name: | 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide | | Formula: | C24 H20 Cl N5 O2 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)Nc4cccc(N)c4)nc2 | | InChi: | InChI=1S/C24H20ClN5O2S/c1-14-5-2-10-19(25)21(14)30-23(32)20-13-27-24(33-20)29-17-8-3-6-15(11-17)22(31)28-18-9-4-7-16(26)12-18/h2-13H,26H2,1H3,(H,27,29)(H,28,31)(H,30,32) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide |
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 | | 90N | | Name: | 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide | | Formula: | C22 H19 Cl N8 O2 S | | SMILES: | Cc1nc(N)nc(NC(=O)c2cccc(Nc3sc(cn3)C(=O)Nc4c(C)cccc4Cl)c2)n1 | | InChi: | InChI=1S/C22H19ClN8O2S/c1-11-5-3-8-15(23)17(11)29-19(33)16-10-25-22(34-16)28-14-7-4-6-13(9-14)18(32)30-21-27-12(2)26-20(24)31-21/h3-10H,1-2H3,(H,25,28)(H,29,33)(H3,24,26,27,30,31,32) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide |
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 | | 90T | | Name: | (3~{S})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid | | Formula: | C23 H21 Cl N4 O4 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N4CC[CH](C4)C(O)=O)nc2 | | InChi: | InChI=1S/C23H21ClN4O4S/c1-13-4-2-7-17(24)19(13)27-20(29)18-11-25-23(33-18)26-16-6-3-5-14(10-16)21(30)28-9-8-15(12-28)22(31)32/h2-7,10-11,15H,8-9,12H2,1H3,(H,25,26)(H,27,29)(H,31,32)/t15-/m0/s1 | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | (3~{S})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid |
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 | | 90W | | Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | | Formula: | C24 H25 Cl N4 O3 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CC[CH](O)CC4)nc2 | | InChi: | InChI=1S/C24H25ClN4O3S/c1-14-4-2-7-19(25)21(14)29-23(32)20-13-26-24(33-20)28-17-6-3-5-15(12-17)22(31)27-16-8-10-18(30)11-9-16/h2-7,12-13,16,18,30H,8-11H2,1H3,(H,26,28)(H,27,31)(H,29,32)/t16-,18- | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide |
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