 | | GJ7 | | Name: | 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide | | Formula: | C26 H26 N4 O4 | | SMILES: | CCC(=O)N1C2CC(C1)N(C2)c5ccc(C(N)=O)c(Oc4ccc(Oc3ccccc3)cc4)n5 | | InChi: | InChI=1S/C26H26N4O4/c1-2-24(31)30-16-17-14-18(30)15-29(17)23-13-12-22(25(27)32)26(28-23)34-21-10-8-20(9-11-21)33-19-6-4-3-5-7-19/h3-13,17-18H,2,14-16H2,1H3,(H2,27,32)/t17-,18-/m0/s1 | | Definition date: | 2018-05-23 | | Last modified: | 2018-08-31 | | Release date: | 2018-09-05 | | Identifier: | 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide |
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 | | GJA | | Name: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide | | Formula: | C25 H24 N4 O4 | | SMILES: | c1(nc(ccc1C(N)=O)N2CC(NC([C@H]=C)=O)CC2)Oc4ccc(Oc3ccccc3)cc4 | | InChi: | InChI=1S/C25H24N4O4/c1-2-23(30)27-17-14-15-29(16-17)22-13-12-21(24(26)31)25(28-22)33-20-10-8-19(9-11-20)32-18-6-4-3-5-7-18/h2-13,17H,1,14-16H2,(H2,26,31)(H,27,30)/t17-/m0/s1 | | Definition date: | 2018-05-23 | | Last modified: | 2018-08-31 | | Release date: | 2018-09-05 | | Identifier: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide |
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 | | GJJ | | Name: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide | | Formula: | C24 H30 N6 O3 | | SMILES: | c2(Nc1ccc(C(NC(C)(C)C)=O)cc1)c(C(=O)N)ccc(n2)N3CCC(NC(=O)C=C)C3 | | InChi: | InChI=1S/C24H30N6O3/c1-5-20(31)26-17-12-13-30(14-17)19-11-10-18(21(25)32)22(28-19)27-16-8-6-15(7-9-16)23(33)29-24(2,3)4/h5-11,17H,1,12-14H2,2-4H3,(H2,25,32)(H,26,31)(H,27,28)(H,29,33)/t17-/m0/s1 | | Definition date: | 2018-05-23 | | Last modified: | 2018-08-31 | | Release date: | 2018-09-05 | | Identifier: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide |
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 | | X26 | | Name: | 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | | Formula: | C37 H48 N8 O3 | | SMILES: | O=C3c1c(cccc1)N(C2CCCC2)c4c(N3C)cnc(n4)Nc5ccc(cc5OC(C)C)C(=O)N6CCC(CC6)N7CCN(C)CC7 | | InChi: | InChI=1S/C37H48N8O3/c1-25(2)48-33-23-26(35(46)44-17-15-27(16-18-44)43-21-19-41(3)20-22-43)13-14-30(33)39-37-38-24-32-34(40-37)45(28-9-5-6-10-28)31-12-8-7-11-29(31)36(47)42(32)4/h7-8,11-14,23-25,27-28H,5-6,9-10,15-22H2,1-4H3,(H,38,39,40) | | Definition date: | 2018-02-26 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
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 | | UFB | | Name: | 2'-F,4'-beta-OMe Uridine 5'-(dihydrogen phosphate) | | Formula: | C10 H14 F N2 O9 P | | SMILES: | C1(C(F)C(O)C(O1)(COP(O)(=O)O)OC)N2C(=O)NC(C=C2)=O | | InChi: | InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10+/m1/s1 | | Definition date: | 2018-04-06 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | [(2S,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-2-methoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
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 | | JDS | | Name: | 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol | | Formula: | C23 H25 Cl N4 O2 | | SMILES: | ON=Cc1nc(CCCCNc2c3CCCCc3nc4ccc(Cl)cc24)ccc1O | | InChi: | InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14- | | Definition date: | 2018-03-28 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol |
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 | | UOB | | Name: | 2'-OMe,4'beta-OMe uridine 5'-(dihydrogen phosphate) | | Formula: | C11 H17 N2 O10 P | | SMILES: | C1(OC(C(C1OC)O)(COP(O)(=O)O)OC)N2C(NC(C=C2)=O)=O | | InChi: | InChI=1S/C11H17N2O10P/c1-20-7-8(15)11(21-2,5-22-24(17,18)19)23-9(7)13-4-3-6(14)12-10(13)16/h3-4,7-9,15H,5H2,1-2H3,(H,12,14,16)(H2,17,18,19)/t7-,8+,9-,11+/m1/s1 | | Definition date: | 2018-04-06 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | [(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
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 | | LCI | | Name: | [4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium | | Formula: | C18 H26 F N6 | | SMILES: | Cn1ncc(c1CC2CC2)c3nc(N[CH]4CC[CH]([NH3+])CC4)ncc3F | | InChi: | InChI=1S/C18H25FN6/c1-25-16(8-11-2-3-11)14(9-22-25)17-15(19)10-21-18(24-17)23-13-6-4-12(20)5-7-13/h9-13H,2-8,20H2,1H3,(H,21,23,24)/p+1/t12-,13- | | Definition date: | 2018-07-04 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | [4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium |
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 | | HB7 | | Name: | N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide | | Formula: | C26 H28 N4 O4 | | SMILES: | c1c(ccc(c1)N(C)C)C(=O)N(Cc2ccc(C(NO)=O)cc2)CC(=O)NCc3ccccc3 | | InChi: | InChI=1S/C26H28N4O4/c1-29(2)23-14-12-22(13-15-23)26(33)30(17-20-8-10-21(11-9-20)25(32)28-34)18-24(31)27-16-19-6-4-3-5-7-19/h3-15,34H,16-18H2,1-2H3,(H,27,31)(H,28,32) | | Definition date: | 2018-06-25 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide |
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 | | HBG | | Name: | N-[2-(cyclohexylamino)-2-oxoethyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide | | Formula: | C25 H31 N3 O4 | | SMILES: | Cc1cc(cc(c1)C)C(=O)N(CC(=O)NC2CCCCC2)Cc3ccc(C(NO)=O)cc3 | | InChi: | InChI=1S/C25H31N3O4/c1-17-12-18(2)14-21(13-17)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-8-10-20(11-9-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30) | | Definition date: | 2018-06-25 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | N-[2-(cyclohexylamino)-2-oxoethyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide |
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 | | HBJ | | Name: | 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide | | Formula: | C26 H28 N4 O4 | | SMILES: | C(c1ccc(cc1)CN(CC(Nc2ccc(C)cc2)=O)C(c3ccc(cc3)N(C)C)=O)(NO)=O | | InChi: | InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32) | | Definition date: | 2018-06-25 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide |
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 | | HCJ | | Name: | (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one | | Formula: | C20 H15 F3 N2 O3 | | SMILES: | C2N1C=CC(N=C1OC2COc3ccc(cc3)c4cc(ccc4)C(F)(F)F)=O | | InChi: | InChI=1S/C20H15F3N2O3/c21-20(22,23)15-3-1-2-14(10-15)13-4-6-16(7-5-13)27-12-17-11-25-9-8-18(26)24-19(25)28-17/h1-10,17H,11-12H2/t17-/m0/s1 | | Definition date: | 2018-06-25 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one |
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 | | 7DQ | | Name: | 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile | | Formula: | C20 H23 N5 O | | SMILES: | c3(ccc(N2CCN(C(Cc1ccc(cc1)C(C)C)=O)CC2)nn3)C#N | | InChi: | InChI=1S/C20H23N5O/c1-15(2)17-5-3-16(4-6-17)13-20(26)25-11-9-24(10-12-25)19-8-7-18(14-21)22-23-19/h3-8,15H,9-13H2,1-2H3 | | Definition date: | 2016-10-11 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile |
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 | | 9Z2 | | Name: | ~{N}-(4-pyrimidin-2-ylphenyl)propanamide | | Formula: | C13 H13 N3 O | | SMILES: | CCC(=O)Nc1ccc(cc1)c2ncccn2 | | InChi: | InChI=1S/C13H13N3O/c1-2-12(17)16-11-6-4-10(5-7-11)13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,17) | | Definition date: | 2017-08-05 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | ~{N}-(4-pyrimidin-2-ylphenyl)propanamide |
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 | | 9ZB | | Name: | 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one | | Formula: | C13 H18 N2 O | | SMILES: | CCN1CCN(C(=O)CC)c2ccccc12 | | InChi: | InChI=1S/C13H18N2O/c1-3-13(16)15-10-9-14(4-2)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3 | | Definition date: | 2017-08-05 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one |
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 | | 72R | | Name: | 5-fluoranyl-1~{H}-indole-2,3-dione | | Formula: | C8 H4 F N O2 | | SMILES: | Fc1ccc2NC(=O)C(=O)c2c1 | | InChi: | InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12) | | Definition date: | 2016-08-18 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 5-fluoranyl-1~{H}-indole-2,3-dione |
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 | | 72S | | Name: | 7-methyl-1~{H}-indole-2,3-dione | | Formula: | C9 H7 N O2 | | SMILES: | Cc1cccc2C(=O)C(=O)Nc12 | | InChi: | InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12) | | Definition date: | 2016-08-18 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 7-methyl-1~{H}-indole-2,3-dione |
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 | | 72T | | Name: | 7-(trifluoromethyl)-1~{H}-indole-2,3-dione | | Formula: | C9 H4 F3 N O2 | | SMILES: | FC(F)(F)c1cccc2C(=O)C(=O)Nc12 | | InChi: | InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15) | | Definition date: | 2016-08-18 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 7-(trifluoromethyl)-1~{H}-indole-2,3-dione |
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 | | 72U | | Name: | methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate | | Formula: | C10 H7 N O4 | | SMILES: | COC(=O)c1cccc2C(=O)C(=O)Nc12 | | InChi: | InChI=1S/C10H7NO4/c1-15-10(14)6-4-2-3-5-7(6)11-9(13)8(5)12/h2-4H,1H3,(H,11,12,13) | | Definition date: | 2016-08-18 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate |
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 | | 73F | | Name: | 1-(2-phenylethyl)indole-2,3-dione | | Formula: | C16 H13 N O2 | | SMILES: | O=C1N(CCc2ccccc2)c3ccccc3C1=O | | InChi: | InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)17(16(15)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2 | | Definition date: | 2016-08-19 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 1-(2-phenylethyl)indole-2,3-dione |
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 | | 73H | | Name: | 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione | | Formula: | C16 H12 F N O2 | | SMILES: | Fc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1 | | InChi: | InChI=1S/C16H12FNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2 | | Definition date: | 2016-08-19 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione |
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 | | B7B | | Name: | 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide | | Formula: | C23 H28 N6 O2 | | SMILES: | CN1C(=O)[CH]2CCC[CH]2N(C3CCCC3)c4nc(Nc5ccc(cc5)C(N)=O)ncc14 | | InChi: | InChI=1S/C23H28N6O2/c1-28-19-13-25-23(26-15-11-9-14(10-12-15)20(24)30)27-21(19)29(16-5-2-3-6-16)18-8-4-7-17(18)22(28)31/h9-13,16-18H,2-8H2,1H3,(H2,24,30)(H,25,26,27)/t17-,18+/m0/s1 | | Definition date: | 2017-09-20 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide |
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 | | B7W | | Name: | 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline | | Formula: | C18 H14 N4 | | SMILES: | Nc1cccc(c1)c2cnc3[nH]cc(c4cccnc4)c3c2 | | InChi: | InChI=1S/C18H14N4/c19-15-5-1-3-12(7-15)14-8-16-17(11-22-18(16)21-10-14)13-4-2-6-20-9-13/h1-11H,19H2,(H,21,22) | | Definition date: | 2017-09-20 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline |
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 | | 8VR | | Name: | (2R,4aR,6R,7R,8R,8aR)-2-methyl-6,7,8-tris(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid | | Formula: | C9 H14 O8 | | SMILES: | C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O | | InChi: | InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5-,6+,7-,9-/m1/s1 | | Definition date: | 2017-10-05 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | (2~{R},4~{a}~{R},6~{R},7~{R},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid |
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 | | 8M1 | | Name: | N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide | | Formula: | C26 H28 N6 O | | SMILES: | C3(CCC(Nc2ncc1ccccc1n2)CC3)N(c4ccc(cc4)c5cnn(C)c5)C(C)=O | | InChi: | InChI=1S/C26H28N6O/c1-18(33)32(23-11-7-19(8-12-23)21-16-28-31(2)17-21)24-13-9-22(10-14-24)29-26-27-15-20-5-3-4-6-25(20)30-26/h3-8,11-12,15-17,22,24H,9-10,13-14H2,1-2H3,(H,27,29,30)/t22-,24- | | Definition date: | 2017-02-15 | | Last modified: | 2018-08-24 | | Release date: | 2018-08-29 | | Identifier: | N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide |
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