![RQR RQR](https://data.pdbj.org/pdbjplus/data/cc/svg/RQR.svg) | RQR | Name: | (1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid | Formula: | 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 | Definition date: | 2022-06-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid |
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![QYC QYC](https://data.pdbj.org/pdbjplus/data/cc/svg/QYC.svg) | QYC | Name: | (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | 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 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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![O20 O20](https://data.pdbj.org/pdbjplus/data/cc/svg/O20.svg) | O20 | Name: | (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid | Formula: | C36 H46 Cl N3 O3 | SMILES: | O=C(O)C(OC(C)(C)C)c1c(N2CCC(C)(C)CC2)c(cnc1C)c1ccc2CN(CCc2c1)Cc1c(C)cccc1Cl | InChi: | InChI=1S/C36H46ClN3O3/c1-23-9-8-10-30(37)29(23)22-39-16-13-25-19-26(11-12-27(25)21-39)28-20-38-24(2)31(33(34(41)42)43-35(3,4)5)32(28)40-17-14-36(6,7)15-18-40/h8-12,19-20,33H,13-18,21-22H2,1-7H3,(H,41,42)/t33-/m0/s1 | Definition date: | 2022-04-17 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid |
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![RR3 RR3](https://data.pdbj.org/pdbjplus/data/cc/svg/RR3.svg) | RR3 | Name: | 1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide | Formula: | C15 H14 N6 O2 S | SMILES: | N#CCc1ccc(cc1)CS(=O)(=O)Nc1ncnc2cnn(C)c12 | InChi: | InChI=1S/C15H14N6O2S/c1-21-14-13(8-19-21)17-10-18-15(14)20-24(22,23)9-12-4-2-11(3-5-12)6-7-16/h2-5,8,10H,6,9H2,1H3,(H,17,18,20) | Definition date: | 2022-06-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | 1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide |
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![RD6 RD6](https://data.pdbj.org/pdbjplus/data/cc/svg/RD6.svg) | RD6 | Name: | (8S)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid | Formula: | 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-/m0/s1 | Definition date: | 2022-06-22 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (8S)-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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![QYJ QYJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QYJ.svg) | QYJ | Name: | (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | 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 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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![QYO QYO](https://data.pdbj.org/pdbjplus/data/cc/svg/QYO.svg) | QYO | Name: | (1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol | Formula: | 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 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol |
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![RRF RRF](https://data.pdbj.org/pdbjplus/data/cc/svg/RRF.svg) | RRF | Name: | (1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C18 H15 N3 O4 | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc[NH]c2cc1 | InChi: | InChI=1S/C18H15N3O4/c22-15-3-1-2-10-11(15)7-12(18(24)25)16(10)21-17(23)9-4-5-13-14(6-9)20-8-19-13/h1-6,8,12,16,22H,7H2,(H,19,20)(H,21,23)(H,24,25)/t12-,16+/m1/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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![QYU QYU](https://data.pdbj.org/pdbjplus/data/cc/svg/QYU.svg) | QYU | Name: | (1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol | Formula: | 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 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol |
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![RDN RDN](https://data.pdbj.org/pdbjplus/data/cc/svg/RDN.svg) | RDN | Name: | (8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid | Formula: | C18 H18 N4 O2 | SMILES: | O=C(O)C1CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12 | InChi: | InChI=1S/C18H18N4O2/c23-17(24)12-8-22(9-18(12)6-3-7-18)16-14-11-4-1-2-5-13(11)21-15(14)19-10-20-16/h1-2,4-5,10,12H,3,6-9H2,(H,23,24)(H,19,20,21)/t12-/m1/s1 | Definition date: | 2022-06-22 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid |
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![QZ6 QZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/QZ6.svg) | QZ6 | Name: | (2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione | Formula: | C14 H13 F N4 O2 S | SMILES: | O=S1(=O)CCC1CNc1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C14H13FN4O2S/c15-8-1-2-10-11(5-8)19-14-12(10)13(17-7-18-14)16-6-9-3-4-22(9,20)21/h1-2,5,7,9H,3-4,6H2,(H2,16,17,18,19)/t9-/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione |
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![RDU RDU](https://data.pdbj.org/pdbjplus/data/cc/svg/RDU.svg) | RDU | Name: | [(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol | Formula: | C18 H19 F N4 O2 | SMILES: | Fc1ccc2c3c([NH]c2c1)ncnc3N1CC2(CCC2)OC(C1)CO | InChi: | InChI=1S/C18H19FN4O2/c19-11-2-3-13-14(6-11)22-16-15(13)17(21-10-20-16)23-7-12(8-24)25-18(9-23)4-1-5-18/h2-3,6,10,12,24H,1,4-5,7-9H2,(H,20,21,22)/t12-/m1/s1 | Definition date: | 2022-06-22 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | [(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol |
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![RS0 RS0](https://data.pdbj.org/pdbjplus/data/cc/svg/RS0.svg) | RS0 | Name: | (1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C18 H15 N3 O4 | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc[NH]c2cc1 | InChi: | InChI=1S/C18H15N3O4/c22-15-3-1-2-10-11(15)7-12(18(24)25)16(10)21-17(23)9-4-5-13-14(6-9)20-8-19-13/h1-6,8,12,16,22H,7H2,(H,19,20)(H,21,23)(H,24,25)/t12-,16+/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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![QZF QZF](https://data.pdbj.org/pdbjplus/data/cc/svg/QZF.svg) | QZF | Name: | (8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid | Formula: | C18 H17 F N4 O2 | SMILES: | O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12 | InChi: | InChI=1S/C18H17FN4O2/c19-18(16(24)25)9-23(8-17(18)6-3-7-17)15-13-11-4-1-2-5-12(11)22-14(13)20-10-21-15/h1-2,4-5,10H,3,6-9H2,(H,24,25)(H,20,21,22)/t18-/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid |
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![RS9 RS9](https://data.pdbj.org/pdbjplus/data/cc/svg/RS9.svg) | RS9 | Name: | (1R,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C19 H17 N3 O5 | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2cc1 | InChi: | InChI=1S/C19H17N3O5/c23-8-16-20-13-5-4-9(6-14(13)21-16)18(25)22-17-10-2-1-3-15(24)11(10)7-12(17)19(26)27/h1-6,12,17,23-24H,7-8H2,(H,20,21)(H,22,25)(H,26,27)/t12-,17-/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid |
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![QZO QZO](https://data.pdbj.org/pdbjplus/data/cc/svg/QZO.svg) | QZO | Name: | (1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid | Formula: | C17 H15 F N4 O2 | SMILES: | O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid |
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![QZX QZX](https://data.pdbj.org/pdbjplus/data/cc/svg/QZX.svg) | QZX | Name: | (1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid | Formula: | C17 H15 F N4 O2 | SMILES: | O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m0/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid |
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![5YR 5YR](https://data.pdbj.org/pdbjplus/data/cc/svg/5YR.svg) | 5YR | Name: | 10-{[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]sulfanyl}-N-methyl-N-propyldecanamide | Formula: | C32 H51 N O3 S | SMILES: | CCCN(C)C(=O)CCCCCCCCCSC1Cc2cc(O)ccc2C2CCC3(C)C(O)CCC3C21 | InChi: | InChI=1S/C32H51NO3S/c1-4-19-33(3)30(36)12-10-8-6-5-7-9-11-20-37-28-22-23-21-24(34)13-14-25(23)26-17-18-32(2)27(31(26)28)15-16-29(32)35/h13-14,21,26-29,31,34-35H,4-12,15-20,22H2,1-3H3/t26-,27-,28+,29-,31+,32-/m0/s1 | Definition date: | 2021-07-27 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | 10-{[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]sulfanyl}-N-methyl-N-propyldecanamide |
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![7Z8 7Z8](https://data.pdbj.org/pdbjplus/data/cc/svg/7Z8.svg) | 7Z8 | Name: | N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide | Formula: | C16 H33 N O6 | SMILES: | CCCCCCCCC(=O)N(C)C[CH](O)[CH](O)[CH](O)[CH](O)CO | InChi: | InChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-14(21)17(2)10-12(19)15(22)16(23)13(20)11-18/h12-13,15-16,18-20,22-23H,3-11H2,1-2H3/t12-,13+,15+,16+/m0/s1 | Synonyms: | MEGA-9 | Definition date: | 2022-03-02 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | ~{N}-methyl-~{N}-[(2~{S},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide |
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![B6V B6V](https://data.pdbj.org/pdbjplus/data/cc/svg/B6V.svg) | B6V | Name: | (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one | Formula: | C21 H27 N3 O3 | SMILES: | CCN1C(=O)C2=C(O[C](C)(CC=NO)C[CH]2C=C(C)C)c3ccc(C)nc13 | InChi: | InChI=1S/C21H27N3O3/c1-6-24-19-16(8-7-14(4)23-19)18-17(20(24)25)15(11-13(2)3)12-21(5,27-18)9-10-22-26/h7-8,10-11,15,26H,6,9,12H2,1-5H3/b22-10+/t15-,21+/m1/s1 | Definition date: | 2022-03-25 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one |
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![5IV 5IV](https://data.pdbj.org/pdbjplus/data/cc/svg/5IV.svg) | 5IV | Name: | ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | Formula: | C27 H23 F4 N3 O3 S | SMILES: | Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc4ccc(N[S](=O)(=O)C5CC5)cc4C(F)(F)F)c1 | InChi: | InChI=1S/C27H23F4N3O3S/c28-21-3-1-2-17(12-21)16-34-11-10-18-13-19(5-9-25(18)34)26(35)32-15-20-4-6-22(14-24(20)27(29,30)31)33-38(36,37)23-7-8-23/h1-6,9-14,23,33H,7-8,15-16H2,(H,32,35) | Definition date: | 2021-07-12 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide |
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![Q93 Q93](https://data.pdbj.org/pdbjplus/data/cc/svg/Q93.svg) | Q93 | Name: | (1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid | Formula: | C19 H23 F N2 O3 | SMILES: | O=C(C1C(C(=O)O)C2CCC1C2)N1CCN(CC1)c1ccc(F)cc1 | InChi: | InChI=1S/C19H23FN2O3/c20-14-3-5-15(6-4-14)21-7-9-22(10-8-21)18(23)16-12-1-2-13(11-12)17(16)19(24)25/h3-6,12-13,16-17H,1-2,7-11H2,(H,24,25)/t12-,13+,16-,17+/m0/s1 | Definition date: | 2022-06-02 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid |
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![QIO QIO](https://data.pdbj.org/pdbjplus/data/cc/svg/QIO.svg) | QIO | Name: | (2R)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid | Formula: | C17 H17 F N4 O3 | SMILES: | O=C(O)C(O)C1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C17H17FN4O3/c18-10-3-4-11-12(6-10)21-15-13(11)16(20-8-19-15)22-5-1-2-9(7-22)14(23)17(24)25/h3-4,6,8-9,14,23H,1-2,5,7H2,(H,24,25)(H,19,20,21)/t9-,14-/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (2R)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid |
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![QIR QIR](https://data.pdbj.org/pdbjplus/data/cc/svg/QIR.svg) | QIR | Name: | (2S)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid | Formula: | C17 H17 F N4 O3 | SMILES: | O=C(O)C(O)C1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C17H17FN4O3/c18-10-3-4-11-12(6-10)21-15-13(11)16(20-8-19-15)22-5-1-2-9(7-22)14(23)17(24)25/h3-4,6,8-9,14,23H,1-2,5,7H2,(H,24,25)(H,19,20,21)/t9-,14+/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (2S)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid |
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![QIW QIW](https://data.pdbj.org/pdbjplus/data/cc/svg/QIW.svg) | QIW | Name: | (5M)-5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid | Formula: | C15 H16 N4 O2 | SMILES: | OC(=O)c1c(c2cc3c(CC)c[NH]c3nc2)n(C)nc1C | InChi: | InChI=1S/C15H16N4O2/c1-4-9-6-16-14-11(9)5-10(7-17-14)13-12(15(20)21)8(2)18-19(13)3/h5-7H,4H2,1-3H3,(H,16,17)(H,20,21) | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (5M)-5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid |
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