 | | 70K | | 表記: | 6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide | | 組成式: | C25 H29 N5 O4 | | SMILES: | CN(C(=O)c1cc2c([nH]nc2cc1O)C(=O)N3CCCCC3)c4ccc(cc4)N5CCOCC5 | | InChi: | InChI=1S/C25H29N5O4/c1-28(17-5-7-18(8-6-17)29-11-13-34-14-12-29)24(32)20-15-19-21(16-22(20)31)26-27-23(19)25(33)30-9-3-2-4-10-30/h5-8,15-16,31H,2-4,9-14H2,1H3,(H,26,27) | | 定義日: | 2016-08-08 | | 最終更新日: | 2017-11-24 | | 公開日: | 2017-11-29 | | 識別子（ID）: | ~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-piperidin-1-ylcarbonyl-2~{H}-indazole-5-carboxamide |
|
 | | 70L | | 表記: | 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide | | 組成式: | C24 H25 N5 O2 | | SMILES: | CCNC(=O)C1(CCC1)c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2 | | InChi: | InChI=1S/C24H25N5O2/c1-2-26-22(31)24(10-5-11-24)17-8-9-19-18(12-17)20(28-23(25)27-19)21(30)29-13-15-6-3-4-7-16(15)14-29/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3,(H,26,31)(H2,25,27,28) | | 定義日: | 2016-08-08 | | 最終更新日: | 2017-11-24 | | 公開日: | 2017-11-29 | | 識別子（ID）: | 1-[2-azanyl-4-(1,3-dihydroisoindol-2-ylcarbonyl)quinazolin-6-yl]-~{N}-ethyl-cyclobutane-1-carboxamide |
|
 | | 70N | | 表記: | [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | | 組成式: | C28 H26 F2 N6 O3 S | | SMILES: | CN1CCN(CC1)[S](=O)(=O)c2cc(F)c(F)cc2c3ccc4nc(N)nc(C(=O)N5Cc6ccccc6C5)c4c3 | | InChi: | InChI=1S/C28H26F2N6O3S/c1-34-8-10-36(11-9-34)40(38,39)25-14-23(30)22(29)13-20(25)17-6-7-24-21(12-17)26(33-28(31)32-24)27(37)35-15-18-4-2-3-5-19(18)16-35/h2-7,12-14H,8-11,15-16H2,1H3,(H2,31,32,33) | | 定義日: | 2016-08-08 | | 最終更新日: | 2017-11-24 | | 公開日: | 2017-11-29 | | 識別子（ID）: | [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone |
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 | | 70Z | | 表記: | ~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide | | 組成式: | C25 H31 N5 O4 | | SMILES: | CCCCN(C)C(=O)c1[nH]nc2cc(O)c(cc12)C(=O)N(C)c3ccc(cc3)N4CCOCC4 | | InChi: | InChI=1S/C25H31N5O4/c1-4-5-10-28(2)25(33)23-19-15-20(22(31)16-21(19)26-27-23)24(32)29(3)17-6-8-18(9-7-17)30-11-13-34-14-12-30/h6-9,15-16,31H,4-5,10-14H2,1-3H3,(H,26,27) | | 定義日: | 2016-08-09 | | 最終更新日: | 2017-11-24 | | 公開日: | 2017-11-29 | | 識別子（ID）: | ~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide |
|
 | | 7JQ | | 表記: | 6-(4-fluorophenyl)quinazolin-8-ol | | 組成式: | C14 H9 F N2 O | | SMILES: | Oc1cc(cc2cncnc12)c3ccc(F)cc3 | | InChi: | InChI=1S/C14H9FN2O/c15-12-3-1-9(2-4-12)10-5-11-7-16-8-17-14(11)13(18)6-10/h1-8,18H | | 定義日: | 2016-11-02 | | 最終更新日: | 2017-11-17 | | 公開日: | 2017-11-22 | | 識別子（ID）: | 6-(4-fluorophenyl)quinazolin-8-ol |
|
 | | 7JS | | 表記: | 6-(4-fluorophenyl)quinolin-8-ol | | 組成式: | C15 H10 F N O | | SMILES: | Oc1cc(cc2cccnc12)c3ccc(F)cc3 | | InChi: | InChI=1S/C15H10FNO/c16-13-5-3-10(4-6-13)12-8-11-2-1-7-17-15(11)14(18)9-12/h1-9,18H | | 定義日: | 2016-11-02 | | 最終更新日: | 2017-11-17 | | 公開日: | 2017-11-22 | | 識別子（ID）: | 6-(4-fluorophenyl)quinolin-8-ol |
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 | | 7JW | | 表記: | 7-(4-fluorophenyl)quinoxalin-5-ol | | 組成式: | C14 H9 F N2 O | | SMILES: | Oc1cc(cc2nccnc12)c3ccc(F)cc3 | | InChi: | InChI=1S/C14H9FN2O/c15-11-3-1-9(2-4-11)10-7-12-14(13(18)8-10)17-6-5-16-12/h1-8,18H | | 定義日: | 2016-11-02 | | 最終更新日: | 2017-11-17 | | 公開日: | 2017-11-22 | | 識別子（ID）: | 7-(4-fluorophenyl)quinoxalin-5-ol |
|
 | | 7JX | | 表記: | 6-bromanyl-3-chloranyl-quinolin-8-ol | | 組成式: | C9 H5 Br Cl N O | | SMILES: | Oc1cc(Br)cc2cc(Cl)cnc12 | | InChi: | InChI=1S/C9H5BrClNO/c10-6-1-5-2-7(11)4-12-9(5)8(13)3-6/h1-4,13H | | 定義日: | 2016-11-02 | | 最終更新日: | 2017-11-17 | | 公開日: | 2017-11-22 | | 識別子（ID）: | 6-bromanyl-3-chloranyl-quinolin-8-ol |
|
 | | DYJ | | 表記: | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline | | 組成式: | C10 H13 N O5 | | SMILES: | O=C(C1N(/C(C)=C/C(C(=O)O)=O)CCC1)O | | InChi: | InChI=1S/C10H13NO5/c1-6(5-8(12)10(15)16)11-4-2-3-7(11)9(13)14/h5,7H,2-4H2,1H3,(H,13,14)(H,15,16)/b6-5+/t7-/m0/s1 | | 定義日: | 2017-11-16 | | 最終更新日: | 2017-11-17 | | 公開日: | 2017-11-22 | | 識別子（ID）: | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline |
|
 | | 8JE | | 表記: | 5-(4-fluorophenyl)-~{N}-[[3-[(~{S})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide | | 組成式: | C29 H24 F N3 O4 | | SMILES: | Cn1ncc2cc(ccc12)[CH](O)c3cccc(CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)c3 | | InChi: | InChI=1S/C29H24FN3O4/c1-33-25-10-7-20(12-22(25)16-32-33)27(35)19-4-2-3-17(11-19)15-31-29(37)24-13-21(14-26(34)28(24)36)18-5-8-23(30)9-6-18/h2-14,16,27,34-36H,15H2,1H3,(H,31,37)/t27-/m0/s1 | | 定義日: | 2016-12-17 | | 最終更新日: | 2017-11-17 | | 公開日: | 2017-11-22 | | 識別子（ID）: | 5-(4-fluorophenyl)-~{N}-[[3-[(~{S})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide |
|
 | | H91 | | 表記: | 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one | | 組成式: | C26 H28 Cl2 N4 O2 | | SMILES: | N(C)(CC5CCC(N1c3c(CNC1=O)cnc2ccc(cc23)c4cc(c(c(c4)Cl)O)Cl)CC5)C | | InChi: | InChI=1S/C26H28Cl2N4O2/c1-31(2)14-15-3-6-19(7-4-15)32-24-18(13-30-26(32)34)12-29-23-8-5-16(9-20(23)24)17-10-21(27)25(33)22(28)11-17/h5,8-12,15,19,33H,3-4,6-7,13-14H2,1-2H3,(H,30,34)/t15-,19- | | 定義日: | 2016-11-15 | | 最終更新日: | 2017-11-17 | | 公開日: | 2017-11-22 | | 識別子（ID）: | 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one |
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 | | A1C | | 表記: | 1-(3-chloro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | | 組成式: | C20 H23 Cl N2 O3 S | | SMILES: | c1(cc(Cl)c(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H23ClN2O3S/c1-3-10-23-19-8-7-17(12-16(19)6-9-20(23)24)22-27(25,26)13-15-5-4-14(2)18(21)11-15/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3 | | 定義日: | 2017-05-16 | | 最終更新日: | 2017-11-10 | | 公開日: | 2017-11-15 | | 識別子（ID）: | 1-(3-chloro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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 | | DK7 | | 表記: | N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide | | 組成式: | C22 H32 F2 N2 O4 | | SMILES: | c3(cc(CC(C(O)C2NCC(OCC1CCCCC1)OC2)NC(C)=O)cc(c3)F)F | | InChi: | InChI=1S/C22H32F2N2O4/c1-14(27)26-19(9-16-7-17(23)10-18(24)8-16)22(28)20-13-30-21(11-25-20)29-12-15-5-3-2-4-6-15/h7-8,10,15,19-22,25,28H,2-6,9,11-13H2,1H3,(H,26,27)/t19-,20+,21+,22-/m0/s1 | | 定義日: | 2017-10-30 | | 最終更新日: | 2017-11-10 | | 公開日: | 2017-11-15 | | 識別子（ID）: | N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide |
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 | | DKJ | | 表記: | N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide | | 組成式: | C21 H32 F2 N2 O4 | | SMILES: | O=C(C)NC(Cc1cc(cc(c1)F)F)C(C2NC(C)C(OC2)OCC(C)(C)C)O | | InChi: | InChI=1S/C21H32F2N2O4/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26)/t12-,17-,18+,19-,20-/m0/s1 | | 定義日: | 2017-10-30 | | 最終更新日: | 2017-11-10 | | 公開日: | 2017-11-15 | | 識別子（ID）: | N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide |
|
 | | BUY | | 表記: | 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | | 組成式: | C27 H21 Cl N6 O4 | | SMILES: | OC(=O)c1ccc(NC(=O)[CH]2N(CCc3ccccc23)C(=O)C=Cc4cc(Cl)ccc4n5cnnn5)cc1 | | InChi: | InChI=1S/C27H21ClN6O4/c28-20-8-11-23(34-16-29-31-32-34)19(15-20)7-12-24(35)33-14-13-17-3-1-2-4-22(17)25(33)26(36)30-21-9-5-18(6-10-21)27(37)38/h1-12,15-16,25H,13-14H2,(H,30,36)(H,37,38)/b12-7+/t25-/m0/s1 | | 定義日: | 2017-08-25 | | 最終更新日: | 2017-11-03 | | 公開日: | 2017-11-08 | | 識別子（ID）: | 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid |
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 | | BVJ | | 表記: | methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate | | 組成式: | C28 H23 Cl F N7 O4 | | SMILES: | COC(=O)Nc1ccc(NC(=O)[CH]2N(CCc3ccccc23)C(=O)C=Cc4c(F)c(Cl)ccc4n5cnnn5)cc1 | | InChi: | InChI=1S/C28H23ClFN7O4/c1-41-28(40)33-19-8-6-18(7-9-19)32-27(39)26-20-5-3-2-4-17(20)14-15-36(26)24(38)13-10-21-23(37-16-31-34-35-37)12-11-22(29)25(21)30/h2-13,16,26H,14-15H2,1H3,(H,32,39)(H,33,40)/b13-10+/t26-/m0/s1 | | 定義日: | 2017-08-25 | | 最終更新日: | 2017-11-03 | | 公開日: | 2017-11-08 | | 識別子（ID）: | methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate |
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 | | BVM | | 表記: | 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | | 組成式: | C36 H34 Cl N7 O7 | | SMILES: | CCOC(=O)[CH]1CCCN(C1)C(=O)c2cccc3[CH](N(CCc23)C(=O)C=Cc4cc(Cl)ccc4n5cnnn5)C(=O)Nc6ccc(cc6)C(O)=O | | InChi: | InChI=1S/C36H34ClN7O7/c1-2-51-36(50)24-5-4-17-42(20-24)34(47)29-7-3-6-28-27(29)16-18-43(32(28)33(46)39-26-12-8-22(9-13-26)35(48)49)31(45)15-10-23-19-25(37)11-14-30(23)44-21-38-40-41-44/h3,6-15,19,21,24,32H,2,4-5,16-18,20H2,1H3,(H,39,46)(H,48,49)/b15-10+/t24-,32-/m0/s1 | | 定義日: | 2017-08-25 | | 最終更新日: | 2017-11-03 | | 公開日: | 2017-11-08 | | 識別子（ID）: | 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid |
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 | | 8AS | | 表記: | 3-(morpholin-4-yl)propanoic acid | | 組成式: | C7 H13 N O3 | | SMILES: | O=C(CCN1CCOCC1)O | | InChi: | InChI=1S/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10) | | 定義日: | 2017-01-17 | | 最終更新日: | 2017-10-27 | | 公開日: | 2017-11-01 | | 識別子（ID）: | 3-(morpholin-4-yl)propanoic acid |
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 | | 8B1 | | 表記: | N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | 組成式: | C31 H47 N5 O4 S | | SMILES: | O=C(CCN1CCOCC1)NCC(NC(C(NC(CC)=O)Cc3sc2cc(C(C)C)ccc2n3)=O)C4CCCCC4 | | InChi: | InChI=1S/C31H47N5O4S/c1-4-28(37)33-25(19-30-34-24-11-10-23(21(2)3)18-27(24)41-30)31(39)35-26(22-8-6-5-7-9-22)20-32-29(38)12-13-36-14-16-40-17-15-36/h10-11,18,21-22,25-26H,4-9,12-17,19-20H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)/t25-,26+/m0/s1 | | 定義日: | 2017-01-17 | | 最終更新日: | 2017-10-27 | | 公開日: | 2017-11-01 | | 識別子（ID）: | N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide |
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 | | A6E | | 表記: | 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one | | 組成式: | C13 H16 F N O2 S | | SMILES: | Fc1ccc(OCCC(=O)N2CCSCC2)cc1 | | InChi: | InChI=1S/C13H16FNO2S/c14-11-1-3-12(4-2-11)17-8-5-13(16)15-6-9-18-10-7-15/h1-4H,5-10H2 | | 定義日: | 2017-08-16 | | 最終更新日: | 2017-10-27 | | 公開日: | 2017-11-01 | | 識別子（ID）: | 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one |
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 | | 7NQ | | 表記: | ~{N}-(4-ethoxyquinazolin-2-yl)propanamide | | 組成式: | C13 H15 N3 O2 | | SMILES: | CCOc1nc(NC(=O)CC)nc2ccccc12 | | InChi: | InChI=1S/C13H15N3O2/c1-3-11(17)15-13-14-10-8-6-5-7-9(10)12(16-13)18-4-2/h5-8H,3-4H2,1-2H3,(H,14,15,16,17) | | 定義日: | 2016-11-28 | | 最終更新日: | 2017-10-27 | | 公開日: | 2017-11-01 | | 識別子（ID）: | ~{N}-(4-ethoxyquinazolin-2-yl)propanamide |
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 | | 7NT | | 表記: | ~{N}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide | | 組成式: | C13 H16 N4 O2 S | | SMILES: | CCC(=O)Nc1nc2sccc2c(n1)N3CCOCC3 | | InChi: | InChI=1S/C13H16N4O2S/c1-2-10(18)14-13-15-11(17-4-6-19-7-5-17)9-3-8-20-12(9)16-13/h3,8H,2,4-7H2,1H3,(H,14,15,16,18) | | 定義日: | 2016-11-28 | | 最終更新日: | 2017-10-27 | | 公開日: | 2017-11-01 | | 識別子（ID）: | ~{N}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide |
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 | | A0T | | 表記: | [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone | | 組成式: | C19 H21 F4 N5 O3 | | SMILES: | CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N3CCOCC3)ncc1C(F)(F)F | | InChi: | InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27) | | 定義日: | 2017-08-09 | | 最終更新日: | 2017-10-20 | | 公開日: | 2017-10-25 | | 識別子（ID）: | [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone |
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 | | A1K | | 表記: | [4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone | | 組成式: | C19 H21 Cl N6 O3 | | SMILES: | CNc1nc(Nc2ccc(cc2OC)C(=O)N3CCOCC3)nc4[nH]cc(Cl)c14 | | InChi: | InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25) | | 定義日: | 2017-08-09 | | 最終更新日: | 2017-10-20 | | 公開日: | 2017-10-25 | | 識別子（ID）: | [4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone |
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 | | A1N | | 表記: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine | | 組成式: | C21 H25 N5 O2 | | SMILES: | C[CH]1CN(C[CH](C)O1)c2cc(ncn2)c3n[nH]c4ccc(OC5(C)CC5)cc34 | | InChi: | InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+ | | 定義日: | 2017-08-09 | | 最終更新日: | 2017-10-20 | | 公開日: | 2017-10-25 | | 識別子（ID）: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine |
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