![7NM 7NM](https://data.pdbj.org/pdbjplus/data/cc/svg/7NM.svg) | 7NM | Name: | [3-(benzyloxy)-4-methylphenyl]borinic acid | Formula: | C14 H15 B O2 | SMILES: | Cc2c(OCc1ccccc1)cc(cc2)BO | InChi: | InChI=1S/C14H15BO2/c1-11-7-8-13(15-16)9-14(11)17-10-12-5-3-2-4-6-12/h2-9,15-16H,10H2,1H3 | Definition date: | 2016-11-21 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | [3-(benzyloxy)-4-methylphenyl]borinic acid |
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![7NS 7NS](https://data.pdbj.org/pdbjplus/data/cc/svg/7NS.svg) | 7NS | Name: | [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid | Formula: | C10 H13 B Br N O | SMILES: | Brc1cc(BO)cc(c1)N2CCCC2 | InChi: | InChI=1S/C10H13BBrNO/c12-9-5-8(11-14)6-10(7-9)13-3-1-2-4-13/h5-7,11,14H,1-4H2 | Definition date: | 2016-11-21 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid |
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![QQZ QQZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QQZ.svg) | QQZ | Name: | phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid | Formula: | C7 H10 B N6 O7 P S | SMILES: | OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P](O)(O)=O | InChi: | InChI=1S/C7H10BN6O7PS/c15-8(21-22(16,17)18)4-10-23(19,20)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15H,4H2,(H2,16,17,18)(H,11,12,13,14) | Definition date: | 2017-07-05 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid |
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![RCH RCH](https://data.pdbj.org/pdbjplus/data/cc/svg/RCH.svg) | RCH | Name: | N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide | Formula: | C32 H31 N3 O5 S | SMILES: | Cc1cc(cc(n1)C#Cc2ccc3c(oc4c3C(=O)c5ccc(N[S](C)(=O)=O)cc5C4(C)C)c2)C(=O)NC(C)(C)C | InChi: | InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37) | Definition date: | 2016-12-06 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | ~{N}-~{tert}-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide |
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![V0L V0L](https://data.pdbj.org/pdbjplus/data/cc/svg/V0L.svg) | V0L | Name: | volitinib | Formula: | C17 H15 N9 | SMILES: | C[CH](n1nnc2ncc(nc12)c3cnn(C)c3)c4ccc5nccn5c4 | InChi: | InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1 | Definition date: | 2016-06-17 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | 3-[(1~{S})-1-imidazo[1,2-a]pyridin-6-ylethyl]-5-(1-methylpyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazine |
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![DXV DXV](https://data.pdbj.org/pdbjplus/data/cc/svg/DXV.svg) | DXV | Name: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | Formula: | C25 H22 N2 O2 | SMILES: | C5CC(c4c(C(O)=O)ccc(c3c2cc(c1ccccc1)cnc2nc3)c4)CC5 | InChi: | InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29) | Definition date: | 2017-11-11 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid |
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![G53 G53](https://data.pdbj.org/pdbjplus/data/cc/svg/G53.svg) | G53 | Name: | methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate | Formula: | C32 H39 N3 O10 S | SMILES: | c1(ccc(cc1)S(=O)(N(CC(O)C(NC(OC2COC3OCCC23)=O)Cc4ccccc4)CC(C)C)=O)c5occ(n5)C(=O)OC | InChi: | InChI=1S/C32H39N3O10S/c1-20(2)16-35(46(39,40)23-11-9-22(10-12-23)29-33-26(18-43-29)30(37)41-3)17-27(36)25(15-21-7-5-4-6-8-21)34-32(38)45-28-19-44-31-24(28)13-14-42-31/h4-12,18,20,24-25,27-28,31,36H,13-17,19H2,1-3H3,(H,34,38)/t24-,25-,27+,28-,31+/m0/s1 | Definition date: | 2017-09-28 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate |
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![8Y0 8Y0](https://data.pdbj.org/pdbjplus/data/cc/svg/8Y0.svg) | 8Y0 | Name: | (E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine | Formula: | C41 H51 F3 N6 O5 | SMILES: | OC(=O)CN=CC(=O)C=CCCCCCCCCCCCCn1nnc2c3ccccc3N(Cc4ccccc4c12)C(=O)CCCCCNC(=O)C(F)(F)F | InChi: | InChI=1S/C41H51F3N6O5/c42-41(43,44)40(55)46-26-18-11-13-25-36(52)49-30-31-20-14-15-22-33(31)39-38(34-23-16-17-24-35(34)49)47-48-50(39)27-19-10-8-6-4-2-1-3-5-7-9-12-21-32(51)28-45-29-37(53)54/h12,14-17,20-24,28H,1-11,13,18-19,25-27,29-30H2,(H,46,55)(H,53,54)/b21-12+,45-28+ | Definition date: | 2017-11-06 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 |
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![C2V C2V](https://data.pdbj.org/pdbjplus/data/cc/svg/C2V.svg) | C2V | Name: | N-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide | Formula: | C21 H21 N5 O S | SMILES: | c2c(nn3c(c1cccc(C(=O)NCCN(C)C)c1)cnc3c2)c4sccc4 | InChi: | InChI=1S/C21H21N5OS/c1-25(2)11-10-22-21(27)16-6-3-5-15(13-16)18-14-23-20-9-8-17(24-26(18)20)19-7-4-12-28-19/h3-9,12-14H,10-11H2,1-2H3,(H,22,27) | Definition date: | 2017-09-11 | Last modified: | 2017-11-10 | Release date: | 2017-11-15 | Identifier: | N-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide |
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![4N1 4N1](https://data.pdbj.org/pdbjplus/data/cc/svg/4N1.svg) | 4N1 | Name: | 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium | Formula: | C16 H19 N4 O2 S | SMILES: | c1(OC)nc2c(cc1)nc(n2)[n+]3c(c(c(OC)c(c3)C)C)CS | InChi: | InChI=1S/C16H18N4O2S/c1-9-7-20(12(8-23)10(2)14(9)22-4)16-17-11-5-6-13(21-3)18-15(11)19-16/h5-7H,8H2,1-4H3,(H-,17,18,19,23)/p+1 | Definition date: | 2016-04-01 | Last modified: | 2017-11-10 | Release date: | 2017-11-15 | Identifier: | 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium |
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![A5H A5H](https://data.pdbj.org/pdbjplus/data/cc/svg/A5H.svg) | A5H | Name: | 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole | Formula: | C11 H9 Cl N2 S | SMILES: | Clc1ccc(cc1)C2=CSC3=NCCN23 | InChi: | InChI=1S/C11H9ClN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-4,7H,5-6H2 | Definition date: | 2017-08-16 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole |
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![B4K B4K](https://data.pdbj.org/pdbjplus/data/cc/svg/B4K.svg) | B4K | Name: | ~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide | Formula: | C14 H12 N4 O3 | SMILES: | CC(=O)Nc1n[nH]c2nc(ccc12)c3ccc(O)c(O)c3 | InChi: | InChI=1S/C14H12N4O3/c1-7(19)15-13-9-3-4-10(16-14(9)18-17-13)8-2-5-11(20)12(21)6-8/h2-6,20-21H,1H3,(H2,15,16,17,18,19) | Definition date: | 2017-09-08 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | ~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide |
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![C7Y C7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/C7Y.svg) | C7Y | Name: | N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine | Formula: | C19 H20 N8 | SMILES: | c1(nc2c(cc1)ncc2)C(C)Nc3nccc(n3)Nc5cc(C4CC4)nn5 | InChi: | InChI=1S/C19H20N8/c1-11(13-4-5-14-15(23-13)6-8-20-14)22-19-21-9-7-17(25-19)24-18-10-16(26-27-18)12-2-3-12/h4-12,20H,2-3H2,1H3,(H3,21,22,24,25,26,27)/t11-/m0/s1 | Definition date: | 2017-09-18 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine |
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![A3H A3H](https://data.pdbj.org/pdbjplus/data/cc/svg/A3H.svg) | A3H | Name: | 4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile | Formula: | C19 H16 N6 | SMILES: | Cn1ccc(Nc2cc(c3cccc(C)c3)c4c([nH]cc4C#N)n2)n1 | InChi: | InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24) | Definition date: | 2017-08-10 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | 4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile |
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![A3K A3K](https://data.pdbj.org/pdbjplus/data/cc/svg/A3K.svg) | A3K | Name: | 6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile | Formula: | C15 H12 N4 | SMILES: | Cc1cccc(c1)c2cc(N)nc3[nH]cc(C#N)c23 | InChi: | InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19) | Definition date: | 2017-08-10 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | 6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile |
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![A3Q A3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/A3Q.svg) | A3Q | Name: | 4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile | Formula: | C14 H9 N3 O | SMILES: | Oc1cccc(c1)c2ccnc3[nH]cc(C#N)c23 | InChi: | InChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17) | Definition date: | 2017-08-10 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | 4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile |
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![7O7 7O7](https://data.pdbj.org/pdbjplus/data/cc/svg/7O7.svg) | 7O7 | Name: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate | Formula: | C33 H42 N4 O7 S2 | SMILES: | c2(nc1ccc(cc1s2)S(N(CC(C)C)CC(C(Cc3ccccc3)NC(=O)OC5C6COC4C6CC5CO4)O)(=O)=O)NC7CC7 | InChi: | InChI=1S/C33H42N4O7S2/c1-19(2)15-37(46(40,41)23-10-11-26-29(14-23)45-32(35-26)34-22-8-9-22)16-28(38)27(12-20-6-4-3-5-7-20)36-33(39)44-30-21-13-24-25(30)18-43-31(24)42-17-21/h3-7,10-11,14,19,21-22,24-25,27-28,30-31,38H,8-9,12-13,15-18H2,1-2H3,(H,34,35)(H,36,39)/t21-,24-,25-,27+,28-,30+,31+/m1/s1 | Definition date: | 2016-11-21 | Last modified: | 2017-10-13 | Release date: | 2017-10-18 | Identifier: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
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![7OA 7OA](https://data.pdbj.org/pdbjplus/data/cc/svg/7OA.svg) | 7OA | Name: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate | Formula: | C33 H40 F2 N4 O7 S2 | SMILES: | c1c(cc(cc1F)F)CC(C(CN(CC(C)C)S(c2ccc3c(c2)sc(n3)NC4CC4)(=O)=O)O)NC(=O)OC5C7COC6C7CC5CO6 | InChi: | InChI=1S/C33H40F2N4O7S2/c1-17(2)13-39(48(42,43)23-5-6-26-29(12-23)47-32(37-26)36-22-3-4-22)14-28(40)27(9-18-7-20(34)11-21(35)8-18)38-33(41)46-30-19-10-24-25(30)16-45-31(24)44-15-19/h5-8,11-12,17,19,22,24-25,27-28,30-31,40H,3-4,9-10,13-16H2,1-2H3,(H,36,37)(H,38,41)/t19-,24-,25-,27+,28-,30+,31+/m1/s1 | Definition date: | 2016-11-21 | Last modified: | 2017-10-13 | Release date: | 2017-10-18 | Identifier: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate |
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![GR7 GR7](https://data.pdbj.org/pdbjplus/data/cc/svg/GR7.svg) | GR7 | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate | Formula: | C32 H42 N2 O9 S | SMILES: | c2(cc1COCC=CCCCCN(S(c1cc2)(=O)=O)CC(O)C(NC(OC3COC4OCCC34)=O)Cc5ccccc5)OC | InChi: | InChI=1S/C32H42N2O9S/c1-39-25-12-13-30-24(19-25)21-40-16-9-4-2-3-8-15-34(44(30,37)38)20-28(35)27(18-23-10-6-5-7-11-23)33-32(36)43-29-22-42-31-26(29)14-17-41-31/h4-7,9-13,19,26-29,31,35H,2-3,8,14-18,20-22H2,1H3,(H,33,36)/b9-4+/t26-,27-,28+,29-,31+/m0/s1 | Definition date: | 2017-07-28 | Last modified: | 2017-10-06 | Release date: | 2017-10-11 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate |
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![7AJ 7AJ](https://data.pdbj.org/pdbjplus/data/cc/svg/7AJ.svg) | 7AJ | Name: | 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine | Formula: | C24 H28 Cl N5 O2 | SMILES: | C1N(CCN(C1)C)CCn2cc(c3c2cc(c(c3)OC)OC)c5cc4c(nccc4Cl)n5 | InChi: | InChI=1S/C24H28ClN5O2/c1-28-6-8-29(9-7-28)10-11-30-15-18(16-13-22(31-2)23(32-3)14-21(16)30)20-12-17-19(25)4-5-26-24(17)27-20/h4-5,12-15H,6-11H2,1-3H3,(H,26,27) | Definition date: | 2016-09-22 | Last modified: | 2017-10-06 | Release date: | 2017-10-11 | Identifier: | 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine |
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![7AU 7AU](https://data.pdbj.org/pdbjplus/data/cc/svg/7AU.svg) | 7AU | Name: | (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol | Formula: | C25 H25 Cl N4 O | SMILES: | C1CNCCN1c2ccc(cc2)c4n(C)c3c(c(ccn3)Cl)c4c5ccc(cc5)CO | InChi: | InChI=1S/C25H25ClN4O/c1-29-24(19-6-8-20(9-7-19)30-14-12-27-13-15-30)22(18-4-2-17(16-31)3-5-18)23-21(26)10-11-28-25(23)29/h2-11,27,31H,12-16H2,1H3 | Definition date: | 2016-09-26 | Last modified: | 2017-10-06 | Release date: | 2017-10-11 | Identifier: | (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol |
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![7GK 7GK](https://data.pdbj.org/pdbjplus/data/cc/svg/7GK.svg) | 7GK | Name: | 2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile | Formula: | C18 H17 N5 | SMILES: | C1N(CCNC1)c2ccc(cc2)c4cc3c(nccc3C#N)n4 | InChi: | InChI=1S/C18H17N5/c19-12-14-5-6-21-18-16(14)11-17(22-18)13-1-3-15(4-2-13)23-9-7-20-8-10-23/h1-6,11,20H,7-10H2,(H,21,22) | Definition date: | 2016-10-20 | Last modified: | 2017-10-06 | Release date: | 2017-10-11 | Identifier: | 2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile |
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![7LK 7LK](https://data.pdbj.org/pdbjplus/data/cc/svg/7LK.svg) | 7LK | Name: | 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile | Formula: | C19 H19 N5 | SMILES: | c1cnc2c(c1C#N)cc(n2C)c3ccc(cc3)N4CCNCC4 | InChi: | InChI=1S/C19H19N5/c1-23-18(12-17-15(13-20)6-7-22-19(17)23)14-2-4-16(5-3-14)24-10-8-21-9-11-24/h2-7,12,21H,8-11H2,1H3 | Definition date: | 2016-11-11 | Last modified: | 2017-10-06 | Release date: | 2017-10-11 | Identifier: | 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile |
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![XLB XLB](https://data.pdbj.org/pdbjplus/data/cc/svg/XLB.svg) | XLB | Name: | 3-[(E)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid | Formula: | C15 H12 B Cl O4 | SMILES: | c2c(cc(C=Cc1c(cc(B(O)O)cc1)Cl)cc2)C(O)=O | InChi: | InChI=1S/C15H12BClO4/c17-14-9-13(16(20)21)7-6-11(14)5-4-10-2-1-3-12(8-10)15(18)19/h1-9,20-21H,(H,18,19)/b5-4+ | Definition date: | 2016-12-07 | Last modified: | 2017-09-22 | Release date: | 2017-09-27 | Identifier: | 3-[(E)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid |
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![S4B S4B](https://data.pdbj.org/pdbjplus/data/cc/svg/S4B.svg) | S4B | Name: | {4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid | Formula: | C14 H13 B O4 | SMILES: | c2(ccc(C=Cc1cc(O)cc(O)c1)cc2)B(O)O | InChi: | InChI=1S/C14H13BO4/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18)19/h1-9,16-19H/b2-1+ | Definition date: | 2016-12-06 | Last modified: | 2017-09-22 | Release date: | 2017-09-27 | Identifier: | {4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid |
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