![GJ9 GJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/GJ9.svg) | GJ9 | Name: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium | Formula: | C28 H38 N5 O4 S | SMILES: | O=C(O)CCCOc1c(C)cc2cccnc2c1N1CCC[NH+](CC1)Cc1csc(n1)N1CCC(O)CC1 | InChi: | InChI=1S/C28H37N5O4S/c1-20-17-21-5-2-9-29-25(21)26(27(20)37-16-3-6-24(35)36)32-11-4-10-31(14-15-32)18-22-19-38-28(30-22)33-12-7-23(34)8-13-33/h2,5,9,17,19,23,34H,3-4,6-8,10-16,18H2,1H3,(H,35,36)/p+1 | Definition date: | 2022-01-03 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium |
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![NH0 NH0](https://data.pdbj.org/pdbjplus/data/cc/svg/NH0.svg) | NH0 | Name: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C30 H37 N3 O3 S | SMILES: | CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1ccncc1 | InChi: | InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(20-24-10-6-4-7-11-24)22-37-27(21-25-12-8-5-9-13-25)28(34)32-19-16-23-14-17-31-18-15-23/h4-15,17-18,26-27H,16,19-22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m0/s1 | Definition date: | 2022-04-04 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![NI6 NI6](https://data.pdbj.org/pdbjplus/data/cc/svg/NI6.svg) | NI6 | Name: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C31 H39 N3 O3 S | SMILES: | CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1ccncc1 | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(21-25-11-6-4-7-12-25)23-38-28(22-26-13-8-5-9-14-26)29(35)33-18-10-15-24-16-19-32-20-17-24/h4-9,11-14,16-17,19-20,27-28H,10,15,18,21-23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m0/s1 | Definition date: | 2022-04-04 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![NJ0 NJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/NJ0.svg) | NJ0 | Name: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide | Formula: | C31 H32 N4 O2 S | SMILES: | O=C(Cc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCc1cccnc1 | InChi: | InChI=1S/C31H32N4O2S/c36-30(19-26-13-7-15-32-20-26)35-28(17-24-9-3-1-4-10-24)23-38-29(18-25-11-5-2-6-12-25)31(37)34-22-27-14-8-16-33-21-27/h1-16,20-21,28-29H,17-19,22-23H2,(H,34,37)(H,35,36)/t28-,29+/m0/s1 | Definition date: | 2022-04-04 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide |
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![NJO NJO](https://data.pdbj.org/pdbjplus/data/cc/svg/NJO.svg) | NJO | Name: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide | Formula: | C33 H36 N4 O2 S | SMILES: | O=C(CCc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1cccnc1 | InChi: | InChI=1S/C33H36N4O2S/c38-32(16-15-28-13-7-18-34-23-28)37-30(21-26-9-3-1-4-10-26)25-40-31(22-27-11-5-2-6-12-27)33(39)36-20-17-29-14-8-19-35-24-29/h1-14,18-19,23-24,30-31H,15-17,20-22,25H2,(H,36,39)(H,37,38)/t30-,31+/m0/s1 | Definition date: | 2022-04-04 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide |
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![NKF NKF](https://data.pdbj.org/pdbjplus/data/cc/svg/NKF.svg) | NKF | Name: | 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile | Formula: | C22 H24 N6 O | SMILES: | N#Cc1cccc(c1C)C(C)Nc1nnc(C)c2cnc(cc12)N1CCOCC1 | InChi: | InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1 | Definition date: | 2022-04-05 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile |
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![NL0 NL0](https://data.pdbj.org/pdbjplus/data/cc/svg/NL0.svg) | NL0 | Name: | 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine | Formula: | C23 H26 F3 N5 | SMILES: | FC(F)(F)c1cccc(c1C)C(C)Nc1nnc(C)c2ccc(cc12)N1CCNCC1 | InChi: | InChI=1S/C23H26F3N5/c1-14-18(5-4-6-21(14)23(24,25)26)15(2)28-22-20-13-17(31-11-9-27-10-12-31)7-8-19(20)16(3)29-30-22/h4-8,13,15,27H,9-12H2,1-3H3,(H,28,30)/t15-/m1/s1 | Definition date: | 2022-04-05 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine |
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![0I1 0I1](https://data.pdbj.org/pdbjplus/data/cc/svg/0I1.svg) | 0I1 | Name: | (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone | Formula: | C19 H20 F2 N4 O | SMILES: | FC1CN(C1)C(=O)C1CCN(CC1)c1cncnc1c1ccc(F)cc1 | InChi: | InChI=1S/C19H20F2N4O/c20-15-3-1-13(2-4-15)18-17(9-22-12-23-18)24-7-5-14(6-8-24)19(26)25-10-16(21)11-25/h1-4,9,12,14,16H,5-8,10-11H2 | Definition date: | 2021-06-09 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone |
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![QON QON](https://data.pdbj.org/pdbjplus/data/cc/svg/QON.svg) | QON | Name: | N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide | Formula: | C14 H18 Cl N3 O3 | SMILES: | ClCC(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 | InChi: | InChI=1S/C14H18ClN3O3/c15-8-13(19)18-5-3-10(4-6-18)16-14(20)11-7-12(21-17-11)9-1-2-9/h7,9-10H,1-6,8H2,(H,16,20) | Synonyms: | ~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide | Definition date: | 2020-07-13 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | ~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide |
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![QCR QCR](https://data.pdbj.org/pdbjplus/data/cc/svg/QCR.svg) | QCR | Name: | (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol | Formula: | C20 H25 F N8 O | SMILES: | CC(C)c1nnc(NC)c2cnc(cc12)Nc1nc(ncc1)N1CCC(O)C(F)C1 | InChi: | InChI=1S/C20H25FN8O/c1-11(2)18-12-8-17(24-9-13(12)19(22-3)28-27-18)25-16-4-6-23-20(26-16)29-7-5-15(30)14(21)10-29/h4,6,8-9,11,14-15,30H,5,7,10H2,1-3H3,(H,22,28)(H,23,24,25,26)/t14-,15+/m0/s1 | Definition date: | 2022-06-07 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol |
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![QFO QFO](https://data.pdbj.org/pdbjplus/data/cc/svg/QFO.svg) | QFO | Name: | (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol | Formula: | C26 H34 F N7 O3 S | SMILES: | CS(=O)(=O)CC1CN(C1)c1ncc(C(C)C)c2cc(ncc21)Nc1nc(ncc1)N1CCC(O)C(C)(F)C1 | InChi: | InChI=1S/C26H34FN7O3S/c1-16(2)19-10-30-24(34-12-17(13-34)14-38(4,36)37)20-11-29-23(9-18(19)20)31-22-5-7-28-25(32-22)33-8-6-21(35)26(3,27)15-33/h5,7,9-11,16-17,21,35H,6,8,12-15H2,1-4H3,(H,28,29,31,32)/t21-,26+/m1/s1 | Definition date: | 2022-06-08 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol |
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![QG5 QG5](https://data.pdbj.org/pdbjplus/data/cc/svg/QG5.svg) | QG5 | Name: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | Formula: | C18 H15 N5 O2 | SMILES: | NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)ccc1C | InChi: | InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25) | Definition date: | 2022-06-09 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
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![QGI QGI](https://data.pdbj.org/pdbjplus/data/cc/svg/QGI.svg) | QGI | Name: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide | Formula: | C18 H20 N4 O2 | SMILES: | NC(=O)c1c2cc(C)c(C)nc2n(c1N)c1c(C)ccc(O)c1C | InChi: | InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24) | Definition date: | 2022-06-09 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide |
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![QGR QGR](https://data.pdbj.org/pdbjplus/data/cc/svg/QGR.svg) | QGR | Name: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | Formula: | C19 H16 Br N5 O2 | SMILES: | NC(=O)c1c2nc3cc(Br)ccc3nc2n(c1N)c1c(C)ccc(O)c1C | InChi: | InChI=1S/C19H16BrN5O2/c1-8-3-6-13(26)9(2)16(8)25-17(21)14(18(22)27)15-19(25)24-11-5-4-10(20)7-12(11)23-15/h3-7,26H,21H2,1-2H3,(H2,22,27) | Definition date: | 2022-06-09 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
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![QGY QGY](https://data.pdbj.org/pdbjplus/data/cc/svg/QGY.svg) | QGY | Name: | (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | Formula: | C19 H16 Br N5 O2 | SMILES: | NC(=O)c1c2nc3c(Br)cccc3nc2n(c1N)c1c(C)ccc(O)c1C | InChi: | InChI=1S/C19H16BrN5O2/c1-8-6-7-12(26)9(2)16(8)25-17(21)13(18(22)27)15-19(25)23-11-5-3-4-10(20)14(11)24-15/h3-7,26H,21H2,1-2H3,(H2,22,27) | Definition date: | 2022-06-09 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
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![5Y1 5Y1](https://data.pdbj.org/pdbjplus/data/cc/svg/5Y1.svg) | 5Y1 | Name: | (5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione | Formula: | C23 H23 N3 O5 | SMILES: | O=C1NCCc2cc(ccc2)OCCCCOc2cccc(c2)C=2N=C1C(O)C(=O)N=2 | InChi: | InChI=1S/C23H23N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h3-8,13-14,20,27H,1-2,9-12H2,(H,24,28) | Definition date: | 2021-07-27 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione |
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![5YS 5YS](https://data.pdbj.org/pdbjplus/data/cc/svg/5YS.svg) | 5YS | Name: | ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide | Formula: | C20 H25 N3 O2 | SMILES: | COc1cccc(c1)[CH](C)NC(=O)N2CCC(CC2)c3ccncc3 | InChi: | InChI=1S/C20H25N3O2/c1-15(18-4-3-5-19(14-18)25-2)22-20(24)23-12-8-17(9-13-23)16-6-10-21-11-7-16/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,22,24)/t15-/m1/s1 | Definition date: | 2021-07-19 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide |
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![3KI 3KI](https://data.pdbj.org/pdbjplus/data/cc/svg/3KI.svg) | 3KI | Name: | (6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid | Formula: | C16 H20 O4 | SMILES: | O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C | InChi: | InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15-/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid |
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![3UI 3UI](https://data.pdbj.org/pdbjplus/data/cc/svg/3UI.svg) | 3UI | Name: | N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide | Formula: | C21 H23 Cl F3 N3 O4 S | SMILES: | CC[S](=O)(=O)c1ccc(Cl)cc1CNC(=O)c2cc(OC(F)(F)F)cc(c2)N3CCNCC3 | InChi: | InChI=1S/C21H23ClF3N3O4S/c1-2-33(30,31)19-4-3-16(22)9-15(19)13-27-20(29)14-10-17(28-7-5-26-6-8-28)12-18(11-14)32-21(23,24)25/h3-4,9-12,26H,2,5-8,13H2,1H3,(H,27,29) | Definition date: | 2021-07-21 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | ~{N}-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide |
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![4UI 4UI](https://data.pdbj.org/pdbjplus/data/cc/svg/4UI.svg) | 4UI | Name: | 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide | Formula: | C22 H17 F N2 O2 S2 | SMILES: | ONC(=O)c1sc(Cn2c3C[CH](Sc3c4cc(F)ccc24)c5ccccc5)cc1 | InChi: | InChI=1S/C22H17FN2O2S2/c23-14-6-8-17-16(10-14)21-18(11-20(29-21)13-4-2-1-3-5-13)25(17)12-15-7-9-19(28-15)22(26)24-27/h1-10,20,27H,11-12H2,(H,24,26)/t20-/m1/s1 | Definition date: | 2021-07-07 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | 5-[[(2~{R})-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide |
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![JHF JHF](https://data.pdbj.org/pdbjplus/data/cc/svg/JHF.svg) | JHF | Name: | (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one | Formula: | C29 H32 F N5 O5 S | SMILES: | COc1ccc(cc1F)N2[CH](CCCC2=O)c3nc4cc(ccc4n3[CH]5CCN(C5)[S](C)(=O)=O)c6c(C)onc6C | InChi: | InChI=1S/C29H32FN5O5S/c1-17-28(18(2)40-32-17)19-8-10-24-23(14-19)31-29(35(24)21-12-13-33(16-21)41(4,37)38)25-6-5-7-27(36)34(25)20-9-11-26(39-3)22(30)15-20/h8-11,14-15,21,25H,5-7,12-13,16H2,1-4H3/t21-,25+/m1/s1 | Definition date: | 2022-04-21 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (6~{S})-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3~{R})-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one |
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![JHL JHL](https://data.pdbj.org/pdbjplus/data/cc/svg/JHL.svg) | JHL | Name: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one | Formula: | C30 H32 F2 N4 O3 | SMILES: | CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6ccc(F)c(F)c6 | InChi: | InChI=1S/C30H32F2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20-,22-,27-/m0/s1 | Synonyms: | CCS1477 | Definition date: | 2022-04-21 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (6~{S})-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one |
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![V6N V6N](https://data.pdbj.org/pdbjplus/data/cc/svg/V6N.svg) | V6N | Name: | (~{E})-2-cyano-3-(2~{H}-indazol-6-yl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide | Formula: | C17 H19 N5 O2 | SMILES: | O=C(NCCN1CCOCC1)C(=Cc2ccc3c[nH]nc3c2)C#N | InChi: | InChI=1S/C17H19N5O2/c18-11-15(9-13-1-2-14-12-20-21-16(14)10-13)17(23)19-3-4-22-5-7-24-8-6-22/h1-2,9-10,12H,3-8H2,(H,19,23)(H,20,21)/b15-9+ | Definition date: | 2021-04-20 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (~{E})-2-cyano-3-(2~{H}-indazol-6-yl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide |
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![V6Q V6Q](https://data.pdbj.org/pdbjplus/data/cc/svg/V6Q.svg) | V6Q | Name: | (2-methoxyphenyl)methanamine | Formula: | C8 H11 N O | SMILES: | COc1ccccc1CN | InChi: | InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3 | Definition date: | 2021-04-20 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (2-methoxyphenyl)methanamine |
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![70I 70I](https://data.pdbj.org/pdbjplus/data/cc/svg/70I.svg) | 70I | Name: | 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one | Formula: | C29 H28 Cl2 F N11 O2 | SMILES: | FC1CN(CCCC(=O)N2CCN(CC2)c3ncc4ncnc(Nc5cc(Cl)c(Oc6ccn7ncnc7c6)c(Cl)c5)c4n3)C1 | InChi: | InChI=1S/C29H28Cl2FN11O2/c30-21-10-19(11-22(31)27(21)45-20-3-5-43-24(12-20)35-17-37-43)38-28-26-23(34-16-36-28)13-33-29(39-26)42-8-6-41(7-9-42)25(44)2-1-4-40-14-18(32)15-40/h3,5,10-13,16-18H,1-2,4,6-9,14-15H2,(H,34,36,38) | Definition date: | 2021-08-03 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one |
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