 | | QX5 | | 表記: | (1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | 組成式: | C21 H22 N4 O5 | | SMILES: | O=C(NC1CC1)Nc1ccc(c(N)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C21H22N4O5/c22-16-8-11(24-21(30)23-10-4-5-10)6-7-13(16)19(27)25-18-12-2-1-3-17(26)14(12)9-15(18)20(28)29/h1-3,6-8,10,15,18,26H,4-5,9,22H2,(H,25,27)(H,28,29)(H2,23,24,30)/t15-,18+/m0/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QXC | | 表記: | N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | 組成式: | C12 H11 N5 | | SMILES: | n1cnc(NCc2ccccn2)c2cc[NH]c12 | | InChi: | InChI=1S/C12H11N5/c1-2-5-13-9(3-1)7-15-12-10-4-6-14-11(10)16-8-17-12/h1-6,8H,7H2,(H2,14,15,16,17) | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | QJO | | 表記: | 1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline | | 組成式: | C9 H10 F2 N4 O4 S | | SMILES: | FC1(F)CC(C(=O)O)N(C1)S(=O)(=O)c1cnc(N)nc1 | | InChi: | InChI=1S/C9H10F2N4O4S/c10-9(11)1-6(7(16)17)15(4-9)20(18,19)5-2-13-8(12)14-3-5/h2-3,6H,1,4H2,(H,16,17)(H2,12,13,14)/t6-/m0/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | 1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline |
|
 | | QXL | | 表記: | (3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione | | 組成式: | C11 H14 N4 O2 S | | SMILES: | O=S1(=O)CCCC(Nc2ncnc3[NH]ccc32)C1 | | InChi: | InChI=1S/C11H14N4O2S/c16-18(17)5-1-2-8(6-18)15-11-9-3-4-12-10(9)13-7-14-11/h3-4,7-8H,1-2,5-6H2,(H2,12,13,14,15)/t8-/m1/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione |
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 | | RBB | | 表記: | [(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid | | 組成式: | C18 H20 N4 O3 | | SMILES: | OC(=O)CC1CN(CC(C)(C)O1)c1ncnc2[NH]c3ccccc3c21 | | InChi: | InChI=1S/C18H20N4O3/c1-18(2)9-22(8-11(25-18)7-14(23)24)17-15-12-5-3-4-6-13(12)21-16(15)19-10-20-17/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)(H,19,20,21)/t11-/m1/s1 | | 定義日: | 2022-06-22 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | [(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid |
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 | | QJU | | 表記: | 7-fluoro-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-9H-pyrimido[4,5-b]indole | | 組成式: | C19 H19 F N6 O | | SMILES: | Cc1nc(CC2CN(CCC2)c2ncnc3[NH]c4cc(F)ccc4c32)on1 | | InChi: | InChI=1S/C19H19FN6O/c1-11-23-16(27-25-11)7-12-3-2-6-26(9-12)19-17-14-5-4-13(20)8-15(14)24-18(17)21-10-22-19/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,21,22,24)/t12-/m1/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | 7-fluoro-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-9H-pyrimido[4,5-b]indole |
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 | | RPU | | 表記: | (3R)-3-(2H-1,3-benzodioxol-5-yl)-3-[(2R)-3-(furan-2-yl)-2-methylpropanamido]propanoic acid | | 組成式: | C18 H19 N O6 | | SMILES: | CC(Cc1ccco1)C(=O)NC(CC(=O)O)c1ccc2OCOc2c1 | | InChi: | InChI=1S/C18H19NO6/c1-11(7-13-3-2-6-23-13)18(22)19-14(9-17(20)21)12-4-5-15-16(8-12)25-10-24-15/h2-6,8,11,14H,7,9-10H2,1H3,(H,19,22)(H,20,21)/t11-,14-/m1/s1 | | 定義日: | 2022-06-23 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (3R)-3-(2H-1,3-benzodioxol-5-yl)-3-[(2R)-3-(furan-2-yl)-2-methylpropanamido]propanoic acid |
|
 | | QXS | | 表記: | (1S,2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol | | 組成式: | C12 H16 N4 O | | SMILES: | OC1CCCCC1Nc1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C12H16N4O/c17-10-4-2-1-3-9(10)16-12-8-5-6-13-11(8)14-7-15-12/h5-7,9-10,17H,1-4H2,(H2,13,14,15,16)/t9-,10+/m1/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (1S,2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol |
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 | | RBO | | 表記: | [(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid | | 組成式: | C16 H16 N4 O3 | | SMILES: | O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3ccccc3c12 | | InChi: | InChI=1S/C16H16N4O3/c21-13(22)7-10-8-20(5-6-23-10)16-14-11-3-1-2-4-12(11)19-15(14)17-9-18-16/h1-4,9-10H,5-8H2,(H,21,22)(H,17,18,19)/t10-/m1/s1 | | 定義日: | 2022-06-22 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | [(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid |
|
 | | QK6 | | 表記: | [(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid | | 組成式: | C16 H15 F N4 O3 | | SMILES: | O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C16H15FN4O3/c17-9-1-2-11-12(5-9)20-15-14(11)16(19-8-18-15)21-3-4-24-10(7-21)6-13(22)23/h1-2,5,8,10H,3-4,6-7H2,(H,22,23)(H,18,19,20)/t10-/m1/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | [(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid |
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 | | QY0 | | 表記: | (1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol | | 組成式: | C12 H16 N4 O | | SMILES: | OC1CCCCC1Nc1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C12H16N4O/c17-10-4-2-1-3-9(10)16-12-8-5-6-13-11(8)14-7-15-12/h5-7,9-10,17H,1-4H2,(H2,13,14,15,16)/t9-,10+/m0/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol |
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 | | QKC | | 表記: | 7-fluoro-4-[(3R)-3-(methanesulfonyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indole | | 組成式: | C16 H17 F N4 O2 S | | SMILES: | CS(=O)(=O)C1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C16H17FN4O2S/c1-24(22,23)11-3-2-6-21(8-11)16-14-12-5-4-10(17)7-13(12)20-15(14)18-9-19-16/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19,20)/t11-/m1/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | 7-fluoro-4-[(3R)-3-(methanesulfonyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indole |
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 | | RQ8 | | 表記: | 3-(5-bromopyridin-3-yl)-N-[5-(1,1-difluoroethyl)pyridine-3-carbonyl]-L-alanine | | 組成式: | C16 H14 Br F2 N3 O3 | | SMILES: | Brc1cc(CC(NC(=O)c2cc(cnc2)C(C)(F)F)C(=O)O)cnc1 | | InChi: | InChI=1S/C16H14BrF2N3O3/c1-16(18,19)11-4-10(6-21-7-11)14(23)22-13(15(24)25)3-9-2-12(17)8-20-5-9/h2,4-8,13H,3H2,1H3,(H,22,23)(H,24,25)/t13-/m0/s1 | | 定義日: | 2022-06-23 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | 3-(5-bromopyridin-3-yl)-N-[5-(1,1-difluoroethyl)pyridine-3-carbonyl]-L-alanine |
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 | | RQC | | 表記: | (3R)-1-[3-(1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoyl]pyrrolidine-3-carboxylic acid | | 組成式: | C14 H17 N5 O4 | | SMILES: | O=C(O)C1CCN(C1)C(=O)CCC1=Nc2c(cnn2C)C(=O)N1 | | InChi: | InChI=1S/C14H17N5O4/c1-18-12-9(6-15-18)13(21)17-10(16-12)2-3-11(20)19-5-4-8(7-19)14(22)23/h6,8H,2-5,7H2,1H3,(H,22,23)(H,16,17,21)/t8-/m1/s1 | | 定義日: | 2022-06-23 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (3R)-1-[3-(1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoyl]pyrrolidine-3-carboxylic acid |
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 | | RC3 | | 表記: | [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid | | 組成式: | C16 H16 N4 O3 | | SMILES: | O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3ccccc3c12 | | InChi: | InChI=1S/C16H16N4O3/c21-13(22)7-10-8-20(5-6-23-10)16-14-11-3-1-2-4-12(11)19-15(14)17-9-18-16/h1-4,9-10H,5-8H2,(H,21,22)(H,17,18,19)/t10-/m0/s1 | | 定義日: | 2022-06-22 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid |
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 | | QKL | | 表記: | (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid | | 組成式: | C21 H21 N3 O4 | | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O | | InChi: | InChI=1S/C21H21N3O4/c25-19(12-5-7-14(8-6-12)22-21(28)23-15-9-10-15)24-18-16-4-2-1-3-13(16)11-17(18)20(26)27/h1-8,15,17-18H,9-11H2,(H,24,25)(H,26,27)(H2,22,23,28)/t17-,18-/m0/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QYC | | 表記: | (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | 組成式: | C21 H21 N3 O5 | | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C21H21N3O5/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)24-19(26)11-4-6-12(7-5-11)22-21(29)23-13-8-9-13/h1-7,13,16,18,25H,8-10H2,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18-/m0/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RQI | | 表記: | 2-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid | | 組成式: | C14 H11 F N4 O3 S | | SMILES: | Fc1cc2[NH]cnc2cc1C(=O)NCCc1nc(cs1)C(=O)O | | InChi: | InChI=1S/C14H11FN4O3S/c15-8-4-10-9(17-6-18-10)3-7(8)13(20)16-2-1-12-19-11(5-23-12)14(21)22/h3-6H,1-2H2,(H,16,20)(H,17,18)(H,21,22) | | 定義日: | 2022-06-23 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | 2-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid |
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 | | QYJ | | 表記: | (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | 組成式: | C21 H21 N3 O5 | | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C21H21N3O5/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)24-19(26)11-4-6-12(7-5-11)22-21(29)23-13-8-9-13/h1-7,13,16,18,25H,8-10H2,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m0/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QKX | | 表記: | (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid | | 組成式: | C21 H21 N3 O4 | | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O | | InChi: | InChI=1S/C21H21N3O4/c25-19(12-5-7-14(8-6-12)22-21(28)23-15-9-10-15)24-18-16-4-2-1-3-13(16)11-17(18)20(26)27/h1-8,15,17-18H,9-11H2,(H,24,25)(H,26,27)(H2,22,23,28)/t17-,18+/m0/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QYO | | 表記: | (1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol | | 組成式: | C15 H15 F N4 O | | SMILES: | OC1CCC(C1)Nc1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C15H15FN4O/c16-8-1-4-11-12(5-8)20-15-13(11)14(17-7-18-15)19-9-2-3-10(21)6-9/h1,4-5,7,9-10,21H,2-3,6H2,(H2,17,18,19,20)/t9-,10+/m1/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol |
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 | | RQR | | 表記: | (1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid | | 組成式: | C13 H11 N3 O3 S | | SMILES: | O=C(O)C1C=CC(C1)NC(=O)c1ncnc2sccc12 | | InChi: | InChI=1S/C13H11N3O3S/c17-11(16-8-2-1-7(5-8)13(18)19)10-9-3-4-20-12(9)15-6-14-10/h1-4,6-8H,5H2,(H,16,17)(H,18,19)/t7-,8+/m1/s1 | | 定義日: | 2022-06-23 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid |
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 | | QYU | | 表記: | (1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol | | 組成式: | C15 H15 F N4 O | | SMILES: | OC1CCC(C1)Nc1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C15H15FN4O/c16-8-1-4-11-12(5-8)20-15-13(11)14(17-7-18-15)19-9-2-3-10(21)6-9/h1,4-5,7,9-10,21H,2-3,6H2,(H2,17,18,19,20)/t9-,10+/m0/s1 | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol |
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 | | QL6 | | 表記: | 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic acid | | 組成式: | C21 H20 N4 O4 | | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)NCc1c2ccccc2[NH]c1C(=O)O | | InChi: | InChI=1S/C21H20N4O4/c26-19(12-5-7-13(8-6-12)23-21(29)24-14-9-10-14)22-11-16-15-3-1-2-4-17(15)25-18(16)20(27)28/h1-8,14,25H,9-11H2,(H,22,26)(H,27,28)(H2,23,24,29) | | 定義日: | 2022-06-14 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic acid |
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 | | RCR | | 表記: | (8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid | | 組成式: | C18 H16 Br F N4 O2 | | SMILES: | O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(Br)ccc3c12 | | InChi: | InChI=1S/C18H16BrFN4O2/c19-10-2-3-11-12(6-10)23-14-13(11)15(22-9-21-14)24-7-17(4-1-5-17)18(20,8-24)16(25)26/h2-3,6,9H,1,4-5,7-8H2,(H,25,26)(H,21,22,23)/t18-/m1/s1 | | 定義日: | 2022-06-22 | | 最終更新日: | 2022-07-01 | | 公開日: | 2022-07-06 | | 識別子（ID）: | (8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid |
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