![CG7 CG7](https://data.pdbj.org/pdbjplus/data/cc/svg/CG7.svg) | CG7 | Name: | 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid | Formula: | C26 H18 Cl N3 O4 | SMILES: | OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O | InChi: | InChI=1S/C26H18ClN3O4/c1-14-6-11-17(12-19(14)25(32)33)34-26-28-21-13-20(27)23(29-24(21)30-26)16-9-7-15(8-10-16)18-4-2-3-5-22(18)31/h2-13,31H,1H3,(H,32,33)(H,28,29,30) | Definition date: | 2017-09-21 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid |
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![RFH RFH](https://data.pdbj.org/pdbjplus/data/cc/svg/RFH.svg) | RFH | Name: | (1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate | Formula: | C43 H58 N4 O13 | SMILES: | O=C(N)C(=[C@H][C@H]=[C@H]C(C)C(O)C(C)C(C(C)C(C(C)C(C=COC1(C(c2c(O1)c(c(c3c2C(=O)C(=C(O)C3=O)[C@H]=NN4CCN(CC4)C)O)C)=O)C)OC)OC(=O)C)O)C | InChi: | InChI=1S/C43H58N4O13/c1-21(12-11-13-22(2)42(44)56)33(49)24(4)34(50)25(5)39(59-27(7)48)23(3)29(57-10)14-19-58-43(8)41(55)32-30-31(35(51)26(6)40(32)60-43)38(54)37(53)28(36(30)52)20-45-47-17-15-46(9)16-18-47/h11-14,19-21,23-25,29,33-34,39,49-51,53H,15-18H2,1-10H3,(H2,44,56)/b12-11+,19-14+,22-13+,45-20+/t21-,23+,24+,25+,29-,33-,34+,39+,43-/m0/s1 | Definition date: | 2018-01-25 | Last modified: | 2018-04-13 | Release date: | 2018-04-18 | Identifier: | (1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate |
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![CJ7 CJ7](https://data.pdbj.org/pdbjplus/data/cc/svg/CJ7.svg) | CJ7 | Name: | 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole | Formula: | C17 H20 F N5 S | SMILES: | c1c2c(ccc1F)n(C)c3nc(nnc23)SCCN4CCCCC4 | InChi: | InChI=1S/C17H20FN5S/c1-22-14-6-5-12(18)11-13(14)15-16(22)19-17(21-20-15)24-10-9-23-7-3-2-4-8-23/h5-6,11H,2-4,7-10H2,1H3 | Definition date: | 2017-09-25 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole |
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![F0Y F0Y](https://data.pdbj.org/pdbjplus/data/cc/svg/F0Y.svg) | F0Y | Name: | methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate | Formula: | C24 H28 N6 O2 | SMILES: | C(=O)(N1CCC(CC1)Cc4cc(C(Nc2nc3c(n2)ccc(n3)C)CC#N)ccc4)OC | InChi: | InChI=1S/C24H28N6O2/c1-16-6-7-21-22(26-16)29-23(28-21)27-20(8-11-25)19-5-3-4-18(15-19)14-17-9-12-30(13-10-17)24(31)32-2/h3-7,15,17,20H,8-10,12-14H2,1-2H3,(H2,26,27,28,29)/t20-/m1/s1 | Definition date: | 2018-02-23 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate |
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![F6J F6J](https://data.pdbj.org/pdbjplus/data/cc/svg/F6J.svg) | F6J | Name: | 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | Formula: | C24 H22 N2 O2 | SMILES: | CC(Cc1c(ccc(c1)c2cnc3ncc(cc23)c4ccccc4)C(O)=O)C | InChi: | InChI=1S/C24H22N2O2/c1-15(2)10-18-11-17(8-9-20(18)24(27)28)22-14-26-23-21(22)12-19(13-25-23)16-6-4-3-5-7-16/h3-9,11-15H,10H2,1-2H3,(H,25,26)(H,27,28) | Definition date: | 2018-03-05 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid |
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![DNV DNV](https://data.pdbj.org/pdbjplus/data/cc/svg/DNV.svg) | DNV | Name: | 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid | Formula: | C21 H19 Cl N4 O3 | SMILES: | C(OC(c1c(cccc1)Cl)c2cc3c(n2)c(C(=O)O)ccn3)Cc4nccn4C | InChi: | InChI=1S/C21H19ClN4O3/c1-26-10-9-24-18(26)7-11-29-20(13-4-2-3-5-15(13)22)17-12-16-19(25-17)14(21(27)28)6-8-23-16/h2-6,8-10,12,20,25H,7,11H2,1H3,(H,27,28)/t20-/m0/s1 | Definition date: | 2017-10-31 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid |
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![DNY DNY](https://data.pdbj.org/pdbjplus/data/cc/svg/DNY.svg) | DNY | Name: | 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid | Formula: | C23 H26 Cl N3 O3 | SMILES: | C(OC(c1c(cccc1)Cl)c3cc2c(c(C(=O)O)ccn2)n3)CCN4CCCCC4 | InChi: | InChI=1S/C23H26ClN3O3/c24-18-8-3-2-7-16(18)22(30-14-6-13-27-11-4-1-5-12-27)20-15-19-21(26-20)17(23(28)29)9-10-25-19/h2-3,7-10,15,22,26H,1,4-6,11-14H2,(H,28,29)/t22-/m0/s1 | Definition date: | 2017-10-31 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid |
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![DO1 DO1](https://data.pdbj.org/pdbjplus/data/cc/svg/DO1.svg) | DO1 | Name: | 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H24 Cl N3 O3 | SMILES: | c1cc(c(cc1)Cl)C(c3cc2c(c(C(=O)O)ccn2)n3)OCCN4CCCCC4 | InChi: | InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)/t21-/m1/s1 | Definition date: | 2017-10-31 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid |
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![DQG DQG](https://data.pdbj.org/pdbjplus/data/cc/svg/DQG.svg) | DQG | Name: | 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H24 Cl N3 O3 | SMILES: | c4ccc(Cl)c(C(c2cc1c(c(C(=O)O)ccn1)n2)OCCN3CCCCC3)c4 | InChi: | InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)/t21-/m0/s1 | Definition date: | 2017-11-01 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid |
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![E1N E1N](https://data.pdbj.org/pdbjplus/data/cc/svg/E1N.svg) | E1N | Name: | 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium | Formula: | C19 H22 Cl N2 | SMILES: | CCC1=C[CH]2C[CH](C1)c3c(N)c4ccc(Cl)cc4[n+](C)c3C2 | InChi: | InChI=1S/C19H21ClN2/c1-3-11-6-12-8-13(7-11)18-17(9-12)22(2)16-10-14(20)4-5-15(16)19(18)21/h4-6,10,12-13,21H,3,7-9H2,1-2H3/p+1/t12-,13+/m0/s1 | Definition date: | 2018-02-09 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 |
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![DKP DKP](https://data.pdbj.org/pdbjplus/data/cc/svg/DKP.svg) | DKP | Name: | 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid | Formula: | C18 H17 Cl N2 O3 | SMILES: | c3cccc(C(c1nc2c(c1)nccc2C(=O)O)OCCC)c3Cl | InChi: | InChI=1S/C18H17ClN2O3/c1-2-9-24-17(11-5-3-4-6-13(11)19)15-10-14-16(21-15)12(18(22)23)7-8-20-14/h3-8,10,17,21H,2,9H2,1H3,(H,22,23)/t17-/m1/s1 | Definition date: | 2017-10-30 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid |
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![DKS DKS](https://data.pdbj.org/pdbjplus/data/cc/svg/DKS.svg) | DKS | Name: | 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H22 Cl F2 N3 O3 | SMILES: | c4ccc(Cl)c(C(c2cc1c(c(C(=O)O)ccn1)n2)OCCN3CCC(F)(CC3)F)c4 | InChi: | InChI=1S/C22H22ClF2N3O3/c23-16-4-2-1-3-14(16)20(31-12-11-28-9-6-22(24,25)7-10-28)18-13-17-19(27-18)15(21(29)30)5-8-26-17/h1-5,8,13,20,27H,6-7,9-12H2,(H,29,30)/t20-/m0/s1 | Definition date: | 2017-10-30 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid |
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![DKV DKV](https://data.pdbj.org/pdbjplus/data/cc/svg/DKV.svg) | DKV | Name: | 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H21 Cl F2 N2 O3 | SMILES: | c2(nc1c(C(=O)O)ccnc1c2)C(c3ccccc3Cl)OCC4CCC(F)(CC4)F | InChi: | InChI=1S/C22H21ClF2N2O3/c23-16-4-2-1-3-14(16)20(30-12-13-5-8-22(24,25)9-6-13)18-11-17-19(27-18)15(21(28)29)7-10-26-17/h1-4,7,10-11,13,20,27H,5-6,8-9,12H2,(H,28,29)/t20-/m0/s1 | Definition date: | 2017-10-30 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid |
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![DLJ DLJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DLJ.svg) | DLJ | Name: | 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H24 Cl N3 O3 | SMILES: | C(OC(c1c(cccc1)Cl)c2cc3c(n2)c(C(=O)O)ccn3)CC4CCCN4C | InChi: | InChI=1S/C22H24ClN3O3/c1-26-11-4-5-14(26)9-12-29-21(15-6-2-3-7-17(15)23)19-13-18-20(25-19)16(22(27)28)8-10-24-18/h2-3,6-8,10,13-14,21,25H,4-5,9,11-12H2,1H3,(H,27,28)/t14-,21+/m1/s1 | Definition date: | 2017-10-31 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid |
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![CWV CWV](https://data.pdbj.org/pdbjplus/data/cc/svg/CWV.svg) | CWV | Name: | [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid | Formula: | C15 H13 B N2 O2 | SMILES: | B(O)(O)c3cccc(c2cc1ccnc(N)c1cc2)c3 | InChi: | InChI=1S/C15H13BN2O2/c17-15-14-5-4-11(8-12(14)6-7-18-15)10-2-1-3-13(9-10)16(19)20/h1-9,19-20H,(H2,17,18) | Definition date: | 2017-10-05 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid |
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![EXG EXG](https://data.pdbj.org/pdbjplus/data/cc/svg/EXG.svg) | EXG | Name: | 1-benzyl-1H-imidazo[4,5-b]pyridine | Formula: | C13 H11 N3 | SMILES: | c1(ccccc1)Cn3c2cccnc2nc3 | InChi: | InChI=1S/C13H11N3/c1-2-5-11(6-3-1)9-16-10-15-13-12(16)7-4-8-14-13/h1-8,10H,9H2 | Definition date: | 2018-02-08 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 1-benzyl-1H-imidazo[4,5-b]pyridine |
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![6VK 6VK](https://data.pdbj.org/pdbjplus/data/cc/svg/6VK.svg) | 6VK | Name: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one | Formula: | C22 H25 N3 O | SMILES: | CC1(C)CC(=O)C2=C(C1)Nc3n[nH]c(C4CC4)c3[C]2(C)c5ccccc5 | InChi: | InChI=1S/C22H25N3O/c1-21(2)11-15-17(16(26)12-21)22(3,14-7-5-4-6-8-14)18-19(13-9-10-13)24-25-20(18)23-15/h4-8,13H,9-12H2,1-3H3,(H2,23,24,25)/t22-/m1/s1 | Definition date: | 2016-07-05 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one |
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![6VL 6VL](https://data.pdbj.org/pdbjplus/data/cc/svg/6VL.svg) | 6VL | Name: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one | Formula: | C20 H23 N3 O | SMILES: | CC[C]1(c2ccccc2)c3c[nH]nc3NC4=C1C(=O)CC(C)(C)C4 | InChi: | InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m0/s1 | Definition date: | 2016-07-05 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one |
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![6VM 6VM](https://data.pdbj.org/pdbjplus/data/cc/svg/6VM.svg) | 6VM | Name: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one | Formula: | C24 H31 N3 O | SMILES: | CC(C)(C)Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C](C)(c4ccccc4)c12 | InChi: | InChI=1S/C24H31N3O/c1-22(2,3)12-17-20-21(27-26-17)25-16-13-23(4,5)14-18(28)19(16)24(20,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H2,25,26,27)/t24-/m1/s1 | Definition date: | 2016-07-05 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one |
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![C8Z C8Z](https://data.pdbj.org/pdbjplus/data/cc/svg/C8Z.svg) | C8Z | Name: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine | Formula: | C17 H17 N3 | SMILES: | C1C[CH](N(C1)c2ccnc3[nH]ccc23)c4ccccc4 | InChi: | InChI=1S/C17H17N3/c1-2-5-13(6-3-1)15-7-4-12-20(15)16-9-11-19-17-14(16)8-10-18-17/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19)/t15-/m1/s1 | Definition date: | 2017-11-23 | Last modified: | 2018-03-02 | Release date: | 2018-03-07 | Identifier: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
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![C9B C9B](https://data.pdbj.org/pdbjplus/data/cc/svg/C9B.svg) | C9B | Name: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine | Formula: | C16 H16 N4 O | SMILES: | C1CN([CH](CO1)c2ccccc2)c3ccnc4n[nH]cc34 | InChi: | InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)15-11-21-9-8-20(15)14-6-7-17-16-13(14)10-18-19-16/h1-7,10,15H,8-9,11H2,(H,17,18,19)/t15-/m1/s1 | Definition date: | 2017-11-23 | Last modified: | 2018-03-02 | Release date: | 2018-03-07 | Identifier: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine |
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![C9E C9E](https://data.pdbj.org/pdbjplus/data/cc/svg/C9E.svg) | C9E | Name: | Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate | Formula: | C10 H10 N2 O2 | SMILES: | CCOC(=O)c1ccnc2[nH]ccc12 | InChi: | InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12) | Definition date: | 2017-11-23 | Last modified: | 2018-03-02 | Release date: | 2018-03-07 | Identifier: | ethyl 1~{H}-pyrrolo[2,3-b]pyridine-4-carboxylate |
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![C9Q C9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/C9Q.svg) | C9Q | Name: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide | Formula: | C16 H14 Cl N3 O | SMILES: | CCNC(=O)c1[nH]c2nccc(c3cccc(Cl)c3)c2c1 | InChi: | InChI=1S/C16H14ClN3O/c1-2-18-16(21)14-9-13-12(6-7-19-15(13)20-14)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20) | Definition date: | 2017-11-23 | Last modified: | 2018-03-02 | Release date: | 2018-03-07 | Identifier: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide |
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![C9V C9V](https://data.pdbj.org/pdbjplus/data/cc/svg/C9V.svg) | C9V | Name: | [(2R,5R,11R,14S,24E)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1H-pyrrol-2-yl-kappaN)-5-(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9E)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9E)-octadec-9-enoatato](difluoro)boron | Formula: | C82 H139 B F2 N2 O18 P2 | SMILES: | C1(=CC(=[N+]3C1=C(CCCC(OC(COP(OCC(OC(=O)CCCCCCC[C@H]=[C@H]CCCCCCCC)COC(C)=O)(=O)O)COP(O)(OCC(COC(CCCCCCC[C@H]=[C@H]CCCCCCCC)=O)OC(CCCCCCC[C@H]=[C@H]CCCCCCCC)=O)=O)=O)c2c(C)cc(n2[B-]3(F)F)C)C)C | InChi: | InChI=1S/C82H139BF2N2O18P2/c1-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-56-77(89)98-63-74(104-79(91)58-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-3)65-100-107(95,96)102-67-75(105-80(92)59-54-55-76-81-68(4)60-70(6)86(81)83(84,85)87-71(7)61-69(5)82(76)87)66-101-106(93,94)99-64-73(62-97-72(8)88)103-78(90)57-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-2/h30-35,60-61,73-75H,9-29,36-59,62-67H2,1-8H3,(H,93,94)(H,95,96)/b33-30+,34-31+,35-32+/t73-,74+,75+/m0/s1 | Definition date: | 2017-09-20 | Last modified: | 2018-03-02 | Release date: | 2018-03-07 | Identifier: | [(2R,5R,11R,14S,24E)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1H-pyrrol-2-yl-kappaN)-5-(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9E)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9E)-octadec-9-enoatato](difluoro)boron |
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![504 504](https://data.pdbj.org/pdbjplus/data/cc/svg/504.svg) | 504 | Name: | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide | Formula: | C26 H29 N5 O2 S | SMILES: | c1cc(cc(c1)CC(=O)Nc2scc(n2)c3cnc4c3cccn4)OCCCC5CCNCC5 | InChi: | InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32) | Definition date: | 2017-03-06 | Last modified: | 2018-03-02 | Release date: | 2018-03-07 | Identifier: | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide |
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