![H3N H3N](https://data.pdbj.org/pdbjplus/data/cc/svg/H3N.svg) | H3N | Name: | 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine | Formula: | C23 H17 N3 O2 | SMILES: | Cn1cc(cn1)c2ccc3occ(c4cccc(Oc5ccccc5)c4)c3n2 | InChi: | InChI=1S/C23H17N3O2/c1-26-14-17(13-24-26)21-10-11-22-23(25-21)20(15-27-22)16-6-5-9-19(12-16)28-18-7-3-2-4-8-18/h2-15H,1H3 | Definition date: | 2018-11-14 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine |
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![H3E H3E](https://data.pdbj.org/pdbjplus/data/cc/svg/H3E.svg) | H3E | Name: | 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine | Formula: | C21 H17 N5 O | SMILES: | Cn1cc(cn1)c2ccc3occ(c4cnn(Cc5ccccc5)c4)c3n2 | InChi: | InChI=1S/C21H17N5O/c1-25-12-17(10-22-25)19-7-8-20-21(24-19)18(14-27-20)16-9-23-26(13-16)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3 | Definition date: | 2018-11-14 | Last modified: | 2019-01-04 | Release date: | 2019-01-09 | Identifier: | 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine |
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![H3H H3H](https://data.pdbj.org/pdbjplus/data/cc/svg/H3H.svg) | H3H | Name: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine | Formula: | C20 H19 N3 O2 | SMILES: | CC(C)Oc1cccc(c1)c2coc3ccc(nc23)c4cnn(C)c4 | InChi: | InChI=1S/C20H19N3O2/c1-13(2)25-16-6-4-5-14(9-16)17-12-24-19-8-7-18(22-20(17)19)15-10-21-23(3)11-15/h4-13H,1-3H3 | Definition date: | 2018-11-14 | Last modified: | 2019-01-04 | Release date: | 2019-01-09 | Identifier: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine |
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![H3Q H3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/H3Q.svg) | H3Q | Name: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine | Formula: | C21 H19 N3 O | SMILES: | Cn1cc(cn1)c2ccc3occ(c4cccc(c4)C5CCC5)c3n2 | InChi: | InChI=1S/C21H19N3O/c1-24-12-17(11-22-24)19-8-9-20-21(23-19)18(13-25-20)16-7-3-6-15(10-16)14-4-2-5-14/h3,6-14H,2,4-5H2,1H3 | Definition date: | 2018-11-14 | Last modified: | 2019-01-04 | Release date: | 2019-01-09 | Identifier: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine |
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![9J0 9J0](https://data.pdbj.org/pdbjplus/data/cc/svg/9J0.svg) | 9J0 | Name: | 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide | Formula: | C24 H24 N8 O | SMILES: | O=C(N)c1cc(C)c(cc1)n2nc(C(C)C)c3c2nccc3n4cnc(c4)c5cnn(c5)C | InChi: | InChI=1S/C24H24N8O/c1-14(2)22-21-20(31-12-18(27-13-31)17-10-28-30(4)11-17)7-8-26-24(21)32(29-22)19-6-5-16(23(25)33)9-15(19)3/h5-14H,1-4H3,(H2,25,33) | Definition date: | 2018-05-02 | Last modified: | 2018-12-28 | Release date: | 2019-01-02 | Identifier: | 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide |
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![960 960](https://data.pdbj.org/pdbjplus/data/cc/svg/960.svg) | 960 | Name: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine | Formula: | C16 H11 Cl N8 O2 S | SMILES: | c1(cnn(c1)C)c2cnc3c(c2)n(nc3)S(c5n4nc(Cl)ccc4nc5)(=O)=O | InChi: | InChI=1S/C16H11ClN8O2S/c1-23-9-11(6-20-23)10-4-13-12(18-5-10)7-21-25(13)28(26,27)16-8-19-15-3-2-14(17)22-24(15)16/h2-9H,1H3 | Definition date: | 2018-01-04 | Last modified: | 2018-12-21 | Release date: | 2018-12-26 | Identifier: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine |
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![H28 H28](https://data.pdbj.org/pdbjplus/data/cc/svg/H28.svg) | H28 | Name: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione | Formula: | C23 H18 Cl2 F N3 O2 | SMILES: | Fc1c(Cl)cccc1[CH]2[CH]3[CH](C=NC3=O)N(CC4CC4)[C]25C(=O)Nc6cc(Cl)ccc56 | InChi: | InChI=1S/C23H18Cl2FN3O2/c24-12-6-7-14-16(8-12)28-22(31)23(14)19(13-2-1-3-15(25)20(13)26)18-17(9-27-21(18)30)29(23)10-11-4-5-11/h1-3,6-9,11,17-19H,4-5,10H2,(H,28,31)/t17-,18+,19-,23+/m0/s1 | Definition date: | 2018-11-07 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione |
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![969 969](https://data.pdbj.org/pdbjplus/data/cc/svg/969.svg) | 969 | Name: | 11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione | Formula: | C22 H18 O6 | SMILES: | CCC(C1=CC(c4c(O1)c3C(=O)c2c(O)cccc2C(c3cc4C)=O)=O)(O)C | InChi: | InChI=1S/C22H18O6/c1-4-22(3,27)15-9-14(24)16-10(2)8-12-18(21(16)28-15)20(26)17-11(19(12)25)6-5-7-13(17)23/h5-9,23,27H,4H2,1-3H3/t22-/m0/s1 | Definition date: | 2018-01-16 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione |
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![KFD KFD](https://data.pdbj.org/pdbjplus/data/cc/svg/KFD.svg) | KFD | Name: | N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide | Formula: | C29 H29 N7 O3 | SMILES: | C1CCCCN1c4cc3oc(N2CCOCC2)nc3cc4NC(=O)c5nc(ccc5)c7cc6ccnc6nc7 | InChi: | InChI=1S/C29H29N7O3/c37-28(22-6-4-5-21(32-22)20-15-19-7-8-30-27(19)31-18-20)33-23-16-24-26(17-25(23)35-9-2-1-3-10-35)39-29(34-24)36-11-13-38-14-12-36/h4-8,15-18H,1-3,9-14H2,(H,30,31)(H,33,37) | Definition date: | 2018-11-30 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide |
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![EZW EZW](https://data.pdbj.org/pdbjplus/data/cc/svg/EZW.svg) | EZW | Name: | 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate | Formula: | C27 H18 N2 O3 | SMILES: | CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56 | InChi: | InChI=1S/C27H18N2O3/c1-17(30)31-27-23-12-6-14-29(23)24-15-18-7-2-3-8-19(18)16-25(24)32-26(27)21-9-4-11-22-20(21)10-5-13-28-22/h2-16H,1H3 | Definition date: | 2018-05-16 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 |
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![BVR BVR](https://data.pdbj.org/pdbjplus/data/cc/svg/BVR.svg) | BVR | Name: | [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron | Formula: | C27 H36 B N2 O9 S | SMILES: | CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[B](O)=O | InChi: | InChI=1S/C27H36BN2O9S/c1-18(2)15-30(40(35,36)21-10-8-20(9-11-21)28(33)34)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)39-25-17-38-26-22(25)12-13-37-26/h3-11,18,22-26,31,33H,12-17H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | Definition date: | 2018-01-26 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron |
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![FJE FJE](https://data.pdbj.org/pdbjplus/data/cc/svg/FJE.svg) | FJE | Name: | [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone | Formula: | C14 H8 Cl F2 N3 O | SMILES: | Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23 | InChi: | InChI=1S/C14H8ClF2N3O/c15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17/h1-5H,18H2,(H,19,20) | Definition date: | 2018-07-11 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone |
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![D6Q D6Q](https://data.pdbj.org/pdbjplus/data/cc/svg/D6Q.svg) | D6Q | Name: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide | Formula: | C23 H19 F5 N6 O3 | SMILES: | Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c4cnc5[nH]ncc5c4)c2c1F | InChi: | InChI=1S/C23H19F5N6O3/c24-14-1-2-15-17(18(14)25)22(21(37)34(15)10-16(35)30-11-23(26,27)28)3-5-33(6-4-22)20(36)13-7-12-9-31-32-19(12)29-8-13/h1-2,7-9H,3-6,10-11H2,(H,30,35)(H,29,31,32) | Definition date: | 2018-01-03 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide |
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![D6Z D6Z](https://data.pdbj.org/pdbjplus/data/cc/svg/D6Z.svg) | D6Z | Name: | 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide | Formula: | C23 H20 Br F3 N6 O3 | SMILES: | FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c3ccc4[nH]ncc4n3)c5c(Br)cccc15 | InChi: | InChI=1S/C23H20BrF3N6O3/c24-13-2-1-3-17-19(13)22(21(36)33(17)11-18(34)28-12-23(25,26)27)6-8-32(9-7-22)20(35)15-5-4-14-16(30-15)10-29-31-14/h1-5,10H,6-9,11-12H2,(H,28,34)(H,29,31) | Definition date: | 2018-01-03 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide |
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![DJW DJW](https://data.pdbj.org/pdbjplus/data/cc/svg/DJW.svg) | DJW | Name: | 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one | Formula: | C27 H27 F3 N6 O4 | SMILES: | COc1ccc2N(CC(=O)N3CCC[CH]3C(F)(F)F)C(=O)C4(CCN(CC4)C(=O)c5ccc6[nH]ncc6c5)c2n1 | InChi: | InChI=1S/C27H27F3N6O4/c1-40-21-7-6-19-23(32-21)26(25(39)36(19)15-22(37)35-10-2-3-20(35)27(28,29)30)8-11-34(12-9-26)24(38)16-4-5-18-17(13-16)14-31-33-18/h4-7,13-14,20H,2-3,8-12,15H2,1H3,(H,31,33)/t20-/m0/s1 | Definition date: | 2018-01-19 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one |
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![H6S H6S](https://data.pdbj.org/pdbjplus/data/cc/svg/H6S.svg) | H6S | Name: | 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H23 Cl N2 O3 S | SMILES: | c1(ccccc1C(OCCC2CCCN2C)c3sc4c(c3)nccc4C(=O)O)Cl | InChi: | InChI=1S/C22H23ClN2O3S/c1-25-11-4-5-14(25)9-12-28-20(15-6-2-3-7-17(15)23)19-13-18-21(29-19)16(22(26)27)8-10-24-18/h2-3,6-8,10,13-14,20H,4-5,9,11-12H2,1H3,(H,26,27)/t14-,20+/m0/s1 | Definition date: | 2018-06-11 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid |
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![H6T H6T](https://data.pdbj.org/pdbjplus/data/cc/svg/H6T.svg) | H6T | Name: | 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H23 Cl N2 O3 S | SMILES: | c1(c(cccc1)C(c2sc3c(c2)nccc3C(=O)O)OCCC4CCCN4C)Cl | InChi: | InChI=1S/C22H23ClN2O3S/c1-25-11-4-5-14(25)9-12-28-20(15-6-2-3-7-17(15)23)19-13-18-21(29-19)16(22(26)27)8-10-24-18/h2-3,6-8,10,13-14,20H,4-5,9,11-12H2,1H3,(H,26,27)/t14-,20-/m0/s1 | Definition date: | 2018-06-26 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid |
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![H6V H6V](https://data.pdbj.org/pdbjplus/data/cc/svg/H6V.svg) | H6V | Name: | 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H25 N3 O3 S | SMILES: | C(=O)(O)c2c1sc(cc1ncc2)C(OCCN3CCCCC3)c4cccc(c4)N | InChi: | InChI=1S/C22H25N3O3S/c23-16-6-4-5-15(13-16)20(28-12-11-25-9-2-1-3-10-25)19-14-18-21(29-19)17(22(26)27)7-8-24-18/h4-8,13-14,20H,1-3,9-12,23H2,(H,26,27)/t20-/m1/s1 | Definition date: | 2018-06-11 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
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![H74 H74](https://data.pdbj.org/pdbjplus/data/cc/svg/H74.svg) | H74 | Name: | 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C25 H27 N3 O4 S | SMILES: | [C@H](C(=O)Nc4cccc(C(c2cc1c(c(C(=O)O)ccn1)s2)OCCN3CCCCC3)c4)=C | InChi: | InChI=1S/C25H27N3O4S/c1-2-22(29)27-18-8-6-7-17(15-18)23(32-14-13-28-11-4-3-5-12-28)21-16-20-24(33-21)19(25(30)31)9-10-26-20/h2,6-10,15-16,23H,1,3-5,11-14H2,(H,27,29)(H,30,31)/t23-/m1/s1 | Definition date: | 2018-06-11 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
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![H77 H77](https://data.pdbj.org/pdbjplus/data/cc/svg/H77.svg) | H77 | Name: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C28 H34 N4 O4 S | SMILES: | C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(=O)[C@H]=[C@H]CN(C)C)OCCN4CCCCC4 | InChi: | InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+/t26-/m1/s1 | Definition date: | 2018-06-11 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
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![82F 82F](https://data.pdbj.org/pdbjplus/data/cc/svg/82F.svg) | 82F | Name: | N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide | Formula: | C27 H38 N6 O2 | SMILES: | CCCN(CCC)C[CH]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4cccnc24 | InChi: | InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)/t21-/m0/s1 | Definition date: | 2017-03-24 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | ~{N}-[2-[(2~{S})-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5~{H}-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide |
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![KK4 KK4](https://data.pdbj.org/pdbjplus/data/cc/svg/KK4.svg) | KK4 | Name: | 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one | Formula: | C30 H28 N4 O3 | SMILES: | O=C1ON=C(N1)C(=C2/c4c(COc3c2cccc3)cc(cc4)Cn5c(CCC)nc6c5cccc6C)C | InChi: | InChI=1S/C30H28N4O3/c1-4-8-26-31-28-18(2)9-7-11-24(28)34(26)16-20-13-14-22-21(15-20)17-36-25-12-6-5-10-23(25)27(22)19(3)29-32-30(35)37-33-29/h5-7,9-15H,4,8,16-17H2,1-3H3,(H,32,33,35)/b27-19+ | Definition date: | 2018-08-10 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one |
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![FT8 FT8](https://data.pdbj.org/pdbjplus/data/cc/svg/FT8.svg) | FT8 | Name: | Omapatrilat | Formula: | C19 H24 N2 O4 S2 | SMILES: | OC(=O)[CH]1CCC[CH]2SCC[CH](NC(=O)[CH](S)Cc3ccccc3)C(=O)N12 | InChi: | InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1 | Definition date: | 2018-07-25 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | (4~{S},7~{S},10~{a}~{S})-5-oxidanylidene-4-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10~{a}-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid |
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![J2V J2V](https://data.pdbj.org/pdbjplus/data/cc/svg/J2V.svg) | J2V | Name: | N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide | Formula: | C20 H17 N5 O2 | SMILES: | c4c(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc(n4)OC | InChi: | InChI=1S/C20H17N5O2/c1-12(26)24-16-10-13(7-9-21-16)19-18(14-5-6-17(27-2)23-11-14)20-15(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26) | Definition date: | 2018-08-06 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide |
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![J2Y J2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/J2Y.svg) | J2Y | Name: | N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide | Formula: | C20 H17 N5 O2 | SMILES: | c4nc(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc4OC | InChi: | InChI=1S/C20H17N5O2/c1-12(26)24-17-10-13(7-9-21-17)19-18(15-6-5-14(27-2)11-23-15)20-16(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26) | Definition date: | 2018-08-06 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide |
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