 | | B5Q | | Name: | [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | | Formula: | C25 H23 N5 O | | SMILES: | CNCc1ccccc1c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2 | | InChi: | InChI=1S/C25H23N5O/c1-27-13-17-6-4-5-9-20(17)16-10-11-22-21(12-16)23(29-25(26)28-22)24(31)30-14-18-7-2-3-8-19(18)15-30/h2-12,27H,13-15H2,1H3,(H2,26,28,29) | | Definition date: | 2017-09-18 | | Last modified: | 2018-05-25 | | Release date: | 2018-05-30 | | Identifier: | [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone |
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 | | C3Z | | Name: | 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol | | Formula: | C23 H18 N4 O | | SMILES: | Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5 | | InChi: | InChI=1S/C23H18N4O/c28-23-15-21-18(20(25-26-21)13-16-7-3-1-4-8-16)14-19(23)22-11-12-24-27(22)17-9-5-2-6-10-17/h1-12,14-15,28H,13H2,(H,25,26) | | Definition date: | 2017-11-11 | | Last modified: | 2018-05-25 | | Release date: | 2018-05-30 | | Identifier: | 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol |
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 | | C4K | | Name: | ~{N}-(1,3-benzodioxol-5-yl)-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide | | Formula: | C24 H21 N3 O4 | | SMILES: | CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c4ccc5OCOc5c4 | | InChi: | InChI=1S/C24H21N3O4/c1-14-4-3-5-15(8-14)9-19-17-11-18(21(28)12-20(17)26-25-19)24(29)27(2)16-6-7-22-23(10-16)31-13-30-22/h3-8,10-12,28H,9,13H2,1-2H3,(H,25,26) | | Definition date: | 2017-11-11 | | Last modified: | 2018-05-25 | | Release date: | 2018-05-30 | | Identifier: | ~{N}-(1,3-benzodioxol-5-yl)-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide |
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 | | C4N | | Name: | ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide | | Formula: | C24 H22 Cl N3 O2 | | SMILES: | CN(Cc1ccc(Cl)cc1)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O | | InChi: | InChI=1S/C24H22ClN3O2/c1-15-4-3-5-17(10-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-16-6-8-18(25)9-7-16/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27) | | Definition date: | 2017-11-11 | | Last modified: | 2018-05-25 | | Release date: | 2018-05-30 | | Identifier: | ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide |
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 | | C4T | | Name: | ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{H}-indazole-5-carboxamide | | Formula: | C23 H20 Cl N3 O2 | | SMILES: | CN(Cc1ccc(Cl)cc1)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O | | InChi: | InChI=1S/C23H20ClN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26) | | Definition date: | 2017-11-11 | | Last modified: | 2018-05-25 | | Release date: | 2018-05-30 | | Identifier: | ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{H}-indazole-5-carboxamide |
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 | | C8W | | Name: | 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid | | Formula: | C20 H19 N5 O5 S | | SMILES: | COc1ccc(cc1OCCCC(O)=O)c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23 | | InChi: | InChI=1S/C20H19N5O5S/c1-29-11-5-4-9(7-12(11)30-6-2-3-13(26)27)14-10(8-21)18(23)25-20-15(14)16(22)17(31-20)19(24)28/h4-5,7H,2-3,6,22H2,1H3,(H2,23,25)(H2,24,28)(H,26,27) | | Definition date: | 2017-11-23 | | Last modified: | 2018-05-25 | | Release date: | 2018-05-30 | | Identifier: | 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid |
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 | | IR2 | | Name: | 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one | | Formula: | C27 H22 N4 O2 | | SMILES: | O=C1N(C=Nc2ccc(cc12)c3ccnc4ccccc34)c5ccc(cc5)N6CCOCC6 | | InChi: | InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2 | | Definition date: | 2018-05-15 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one |
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 | | G6J | | Name: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one | | Formula: | C19 H23 F2 N5 O2 | | SMILES: | c3(F)cc(Nc1nc2c(cn1)N(C(=O)C(C)N2CCC)CCC)cc(c3O)F | | InChi: | InChI=1S/C19H23F2N5O2/c1-4-6-25-11(3)18(28)26(7-5-2)15-10-22-19(24-17(15)25)23-12-8-13(20)16(27)14(21)9-12/h8-11,27H,4-7H2,1-3H3,(H,22,23,24)/t11-/m1/s1 | | Definition date: | 2018-05-10 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one |
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 | | G6Y | | Name: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid | | Formula: | C24 H24 N4 O3 | | SMILES: | c1(nc(nc(c1C#CC(c2cc(cc(c2)OC)c3ccc(cc3)C(O)=O)C)N)N)CC | | InChi: | InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1 | | Definition date: | 2018-05-11 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid |
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 | | G7D | | Name: | N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid | | Formula: | C19 H19 N7 O7 | | SMILES: | C2(c3nc(CNc1cc(c(C(NC(CCC(=O)O)C(O)=O)=O)cc1)O)cnc3N=C(N)N2)=O | | InChi: | InChI=1S/C19H19N7O7/c20-19-25-15-14(17(31)26-19)23-9(7-22-15)6-21-8-1-2-10(12(27)5-8)16(30)24-11(18(32)33)3-4-13(28)29/h1-2,5,7,11,21,27H,3-4,6H2,(H,24,30)(H,28,29)(H,32,33)(H3,20,22,25,26,31)/t11-/m0/s1 | | Definition date: | 2018-05-11 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid |
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 | | G8J | | Name: | 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine | | Formula: | C22 H23 N5 O | | SMILES: | c3(CC)c(C#CC(c1c(ccc(c1)c2ccncc2)OC)C)c(nc(n3)N)N | | InChi: | InChI=1S/C22H23N5O/c1-4-19-17(21(23)27-22(24)26-19)7-5-14(2)18-13-16(6-8-20(18)28-3)15-9-11-25-12-10-15/h6,8-14H,4H2,1-3H3,(H4,23,24,26,27)/t14-/m0/s1 | | Definition date: | 2018-05-14 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine |
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 | | 5UU | | Name: | 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine | | Formula: | C19 H16 Cl F N2 | | SMILES: | Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1 | | InChi: | InChI=1S/C19H16ClFN2/c20-12-5-10-16-18(11-12)23-17-4-2-1-3-15(17)19(16)22-14-8-6-13(21)7-9-14/h5-11H,1-4H2,(H,22,23) | | Definition date: | 2015-12-03 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine |
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 | | 5UV | | Name: | 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine | | Formula: | C19 H15 Cl2 F N2 | | SMILES: | Fc1ccc(Nc2c3CCCCc3nc4ccc(Cl)cc24)cc1Cl | | InChi: | InChI=1S/C19H15Cl2FN2/c20-11-5-8-18-14(9-11)19(13-3-1-2-4-17(13)24-18)23-12-6-7-16(22)15(21)10-12/h5-10H,1-4H2,(H,23,24) | | Definition date: | 2015-12-03 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine |
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 | | 5UW | | Name: | ~{N}-(3,3-diphenylpropyl)piperidin-4-amine | | Formula: | C20 H26 N2 | | SMILES: | C1CC(CCN1)NCCC(c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C20H26N2/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19/h1-10,19-22H,11-16H2 | | Definition date: | 2015-12-03 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | ~{N}-(3,3-diphenylpropyl)piperidin-4-amine |
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 | | 5UX | | Name: | 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine | | Formula: | C19 H15 Cl2 F N2 | | SMILES: | Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1Cl | | InChi: | InChI=1S/C19H15Cl2FN2/c20-11-5-7-14-18(9-11)24-17-4-2-1-3-13(17)19(14)23-12-6-8-16(22)15(21)10-12/h5-10H,1-4H2,(H,23,24) | | Definition date: | 2015-12-03 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine |
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 | | CJN | | Name: | ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine | | Formula: | C17 H27 N5 | | SMILES: | CC(C)n1ccc2ncnc(N[CH]3CC[CH](CC3)N(C)C)c12 | | InChi: | InChI=1S/C17H27N5/c1-12(2)22-10-9-15-16(22)17(19-11-18-15)20-13-5-7-14(8-6-13)21(3)4/h9-14H,5-8H2,1-4H3,(H,18,19,20)/t13-,14- | | Definition date: | 2017-11-28 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine |
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 | | CJQ | | Name: | 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide | | Formula: | C21 H28 N4 O3 S | | SMILES: | NC(=O)C[CH]1CCc2sc3ncnc(O[CH]4CC[CH](CC4)N5CCOCC5)c3c12 | | InChi: | InChI=1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/m1/s1 | | Definition date: | 2017-11-28 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide |
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 | | CJT | | Name: | 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide | | Formula: | C21 H32 N6 O | | SMILES: | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc([CH]4CC[CH](CC4)C(N)=O)c23 | | InChi: | InChI=1S/C21H32N6O/c1-27(2)16-9-7-15(8-10-16)26-21-18-17(11-23-20(18)24-12-25-21)13-3-5-14(6-4-13)19(22)28/h11-16H,3-10H2,1-2H3,(H2,22,28)(H2,23,24,25,26)/t13-,14-,15-,16- | | Definition date: | 2017-11-28 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide |
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 | | CKN | | Name: | (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide | | Formula: | C22 H33 N7 O2 | | SMILES: | C[CH](CC(N)=O)c1ccn2ncnc(N[CH]3CC[CH](CC3)N4CCN(CC4)C(C)=O)c12 | | InChi: | InChI=1S/C22H33N7O2/c1-15(13-20(23)31)19-7-8-29-21(19)22(24-14-25-29)26-17-3-5-18(6-4-17)28-11-9-27(10-12-28)16(2)30/h7-8,14-15,17-18H,3-6,9-13H2,1-2H3,(H2,23,31)(H,24,25,26)/t15-,17-,18-/m1/s1 | | Definition date: | 2017-11-28 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide |
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 | | F8V | | Name: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide | | Formula: | C35 H35 F N8 O2 S | | SMILES: | O=C(N1CCN(CC1)c2ccc(cc2)c3ncccn3)CN4CC(CC4)(SC)C(=O)Nc7cc6c(c5ccc(cc5)F)nnc6cc7 | | InChi: | InChI=1S/C35H35FN8O2S/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1 | | Definition date: | 2018-03-16 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide |
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 | | E9T | | Name: | 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid | | Formula: | C27 H26 O3 | | SMILES: | OC(=O)c1ccc2cc(ccc2c1)c3ccc(O)c(c3)C45CC6CC(CC(C6)C4)C5 | | InChi: | InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)/t16-,17+,18-,27- | | Definition date: | 2018-03-09 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid |
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 | | EGW | | Name: | 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide | | Formula: | C25 H23 F N2 O3 | | SMILES: | NC(=O)c1ccc(Oc2cccc(c2)C(=O)N3CCC(CC3)c4ccc(F)cc4)cc1 | | InChi: | InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29) | | Definition date: | 2018-03-20 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide |
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 | | EO7 | | Name: | 2-chloro-5'-O-sulfamoyladenosine | | Formula: | C10 H13 Cl N6 O6 S | | SMILES: | c2n(c1c(c(nc(n1)Cl)N)n2)C3C(C(C(O3)COS(N)(=O)=O)O)O | | InChi: | InChI=1S/C10H13ClN6O6S/c11-10-15-7(12)4-8(16-10)17(2-14-4)9-6(19)5(18)3(23-9)1-22-24(13,20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,15,16)(H2,13,20,21)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 2018-01-24 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 2-chloro-5'-O-sulfamoyladenosine |
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 | | GYL | | Name: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide | | Formula: | C18 H17 Cl F N5 O | | SMILES: | c3(Cl)c(CNc2nc(c1cc(NC(CC)=O)ccc1)nn2)c(ccc3)F | | InChi: | InChI=1S/C18H17ClFN5O/c1-2-16(26)22-12-6-3-5-11(9-12)17-23-18(25-24-17)21-10-13-14(19)7-4-8-15(13)20/h3-9H,2,10H2,1H3,(H,22,26)(H2,21,23,24,25) | | Definition date: | 2016-03-24 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide |
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 | | EUN | | Name: | 2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one | | Formula: | C19 H15 N3 O | | SMILES: | CC1=Nc2ccc(c(C)c2C(=O)N1)c3ccnc4ccccc34 | | InChi: | InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23) | | Definition date: | 2018-04-19 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | 2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one |
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