![DZ5 DZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/DZ5.svg) | DZ5 | Name: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid | Formula: | C9 H7 F O2 S | SMILES: | O=C(O)C(=Cc1ccc(cc1)F)S | InChi: | InChI=1S/C9H7FO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5- | Definition date: | 2016-04-30 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid |
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![4IH 4IH](https://data.pdbj.org/pdbjplus/data/cc/svg/4IH.svg) | 4IH | Name: | ~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide | Formula: | C17 H21 Cl N2 O2 S | SMILES: | C[S](=O)(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2 | InChi: | InChI=1S/C17H21ClN2O2S/c1-23(21,22)20-11-5-10-19-13-14-8-9-16(17(18)12-14)15-6-3-2-4-7-15/h2-4,6-9,12,19-20H,5,10-11,13H2,1H3 | Definition date: | 2016-12-14 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | ~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide |
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![H83 H83](https://data.pdbj.org/pdbjplus/data/cc/svg/H83.svg) | H83 | Name: | ~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine | Formula: | C17 H21 Cl N2 | SMILES: | NCCCCNCc1ccc(c(Cl)c1)c2ccccc2 | InChi: | InChI=1S/C17H21ClN2/c18-17-12-14(13-20-11-5-4-10-19)8-9-16(17)15-6-2-1-3-7-15/h1-3,6-9,12,20H,4-5,10-11,13,19H2 | Definition date: | 2016-12-12 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | ~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine |
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![OQC OQC](https://data.pdbj.org/pdbjplus/data/cc/svg/OQC.svg) | OQC | Name: | [3-chloranyl-4-(furan-3-yl)phenyl]methanamine | Formula: | C11 H10 Cl N O | SMILES: | NCc1ccc(c(Cl)c1)c2cocc2 | InChi: | InChI=1S/C11H10ClNO/c12-11-5-8(6-13)1-2-10(11)9-3-4-14-7-9/h1-5,7H,6,13H2 | Definition date: | 2016-12-14 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | [3-chloranyl-4-(furan-3-yl)phenyl]methanamine |
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![6H8 6H8](https://data.pdbj.org/pdbjplus/data/cc/svg/6H8.svg) | 6H8 | Name: | N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine | Formula: | C9 H12 N6 | SMILES: | c12c(ccc(NC(=N)N)c1)nc(n2)NC | InChi: | InChI=1S/C9H12N6/c1-12-9-14-6-3-2-5(13-8(10)11)4-7(6)15-9/h2-4H,1H3,(H4,10,11,13)(H2,12,14,15) | Definition date: | 2016-04-11 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine |
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![6H9 6H9](https://data.pdbj.org/pdbjplus/data/cc/svg/6H9.svg) | 6H9 | Name: | 2-(methylamino)-1H-benzimidazole-5-carbohydrazide | Formula: | C9 H11 N5 O | SMILES: | c2(nc1c(cc(cc1)C(=O)NN)n2)NC | InChi: | InChI=1S/C9H11N5O/c1-11-9-12-6-3-2-5(8(15)14-10)4-7(6)13-9/h2-4H,10H2,1H3,(H,14,15)(H2,11,12,13) | Definition date: | 2016-04-11 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 2-(methylamino)-1H-benzimidazole-5-carbohydrazide |
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![6HD 6HD](https://data.pdbj.org/pdbjplus/data/cc/svg/6HD.svg) | 6HD | Name: | 2-(methylamino)-1H-benzimidazole-5-carboxamide | Formula: | C9 H10 N4 O | SMILES: | O=C(N)c1ccc2c(c1)nc(n2)NC | InChi: | InChI=1S/C9H10N4O/c1-11-9-12-6-3-2-5(8(10)14)4-7(6)13-9/h2-4H,1H3,(H2,10,14)(H2,11,12,13) | Definition date: | 2016-04-11 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 2-(methylamino)-1H-benzimidazole-5-carboxamide |
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![6K8 6K8](https://data.pdbj.org/pdbjplus/data/cc/svg/6K8.svg) | 6K8 | Name: | N-(benzenecarbonyl)glycyl-L-arginine | Formula: | C15 H21 N5 O4 | SMILES: | N/C(NCCCC(NC(=O)CNC(c1ccccc1)=O)C(O)=O)=N | InChi: | InChI=1S/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/t11-/m0/s1 | Definition date: | 2016-04-21 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | N-(benzenecarbonyl)glycyl-L-arginine |
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![6MM 6MM](https://data.pdbj.org/pdbjplus/data/cc/svg/6MM.svg) | 6MM | Name: | 6-amino-2-({[(3a'R,4S,6'R,6a'R)-2,2,2',2'-tetramethyldihydro-3a'H-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (non-preferred name) | Formula: | C21 H26 N6 O6 | SMILES: | C6(OCC4(OC(CNc3nc2cc1C(=O)NC(N)=Nc1cc2n3)C5OC(OC45)(C)C)O6)(C)C | InChi: | InChI=1S/C21H26N6O6/c1-19(2)29-8-21(33-19)15-14(31-20(3,4)32-15)13(30-21)7-23-18-25-11-5-9-10(6-12(11)26-18)24-17(22)27-16(9)28/h5-6,13-15H,7-8H2,1-4H3,(H2,23,25,26)(H3,22,24,27,28)/t13-,14-,15-,21+/m1/s1 | Definition date: | 2016-05-09 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 6-amino-2-({[(3a'R,4S,6'R,6a'R)-2,2,2',2'-tetramethyldihydro-3a'H-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (non-preferred name) |
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![6MQ 6MQ](https://data.pdbj.org/pdbjplus/data/cc/svg/6MQ.svg) | 6MQ | Name: | methyl 5-[(6-amino-8-oxo-7,8-dihydro-3H-imidazo[4,5-g]quinazolin-2-yl)amino]-5-deoxy-2,3-O-(1-methylethylidene)-beta-D-ribofuranoside | Formula: | C18 H22 N6 O5 | SMILES: | COC4C5C(C(CNc3nc1c(cc2c(c1)N=C(NC2=O)N)n3)O4)OC(O5)(C)C | InChi: | InChI=1S/C18H22N6O5/c1-18(2)28-12-11(27-15(26-3)13(12)29-18)6-20-17-22-9-4-7-8(5-10(9)23-17)21-16(19)24-14(7)25/h4-5,11-13,15H,6H2,1-3H3,(H2,20,22,23)(H3,19,21,24,25)/t11-,12-,13-,15-/m1/s1 | Definition date: | 2016-05-09 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | methyl 5-[(6-amino-8-oxo-7,8-dihydro-3H-imidazo[4,5-g]quinazolin-2-yl)amino]-5-deoxy-2,3-O-(1-methylethylidene)-beta-D-ribofuranoside |
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![6N1 6N1](https://data.pdbj.org/pdbjplus/data/cc/svg/6N1.svg) | 6N1 | Name: | 2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carbohydrazide | Formula: | C14 H20 N6 O2 | SMILES: | c3(C(=O)NN)ccc1c(nc(n1)NCCN2CCOCC2)c3 | InChi: | InChI=1S/C14H20N6O2/c15-19-13(21)10-1-2-11-12(9-10)18-14(17-11)16-3-4-20-5-7-22-8-6-20/h1-2,9H,3-8,15H2,(H,19,21)(H2,16,17,18) | Definition date: | 2016-05-10 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carbohydrazide |
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![6N2 6N2](https://data.pdbj.org/pdbjplus/data/cc/svg/6N2.svg) | 6N2 | Name: | N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine | Formula: | C14 H21 N7 O | SMILES: | NC(=N)Nc3ccc2nc(NCCN1CCOCC1)nc2c3 | InChi: | InChI=1S/C14H21N7O/c15-13(16)18-10-1-2-11-12(9-10)20-14(19-11)17-3-4-21-5-7-22-8-6-21/h1-2,9H,3-8H2,(H4,15,16,18)(H2,17,19,20) | Definition date: | 2016-05-10 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine |
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![6NK 6NK](https://data.pdbj.org/pdbjplus/data/cc/svg/6NK.svg) | 6NK | Name: | 2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carboxamide | Formula: | C14 H19 N5 O2 | SMILES: | c3(C(=O)N)ccc1c(nc(n1)NCCN2CCOCC2)c3 | InChi: | InChI=1S/C14H19N5O2/c15-13(20)10-1-2-11-12(9-10)18-14(17-11)16-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H2,15,20)(H2,16,17,18) | Definition date: | 2016-05-11 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carboxamide |
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![6PD 6PD](https://data.pdbj.org/pdbjplus/data/cc/svg/6PD.svg) | 6PD | Name: | [4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone | Formula: | C41 H60 N6 O3 | SMILES: | O=C(N1CC[CH](CCN2CCCC2)CC1)c3ccc(C(=O)N4CC[CH](CCN5CCCC5)CC4)c(Nc6ccc(OCN7CCCC7)cc6)c3 | InChi: | InChI=1S/C41H60N6O3/c48-40(46-27-15-33(16-28-46)13-25-43-19-1-2-20-43)35-7-12-38(41(49)47-29-17-34(18-30-47)14-26-44-21-3-4-22-44)39(31-35)42-36-8-10-37(11-9-36)50-32-45-23-5-6-24-45/h7-12,31,33-34,42H,1-6,13-30,32H2 | Definition date: | 2016-05-18 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | [4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone |
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![74G 74G](https://data.pdbj.org/pdbjplus/data/cc/svg/74G.svg) | 74G | Name: | 4-{[(2S)-3-{2,16-dioxo-20-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium | Formula: | C38 H51 N6 O6 S2 | SMILES: | C12NC(NC1C(SC2)CCCCC(NCCOCCOCCOCCNC(=O)CN3C(Sc4c3cccc4)Cc5cc[n+](C)c6c5cccc6)=O)=O | InChi: | InChI=1S/C38H50N6O6S2/c1-43-17-14-27(28-8-2-3-9-30(28)43)24-36-44(31-10-4-5-11-32(31)52-36)25-35(46)40-16-19-49-21-23-50-22-20-48-18-15-39-34(45)13-7-6-12-33-37-29(26-51-33)41-38(47)42-37/h2-5,8-11,14,17,29,33,36-37H,6-7,12-13,15-16,18-26H2,1H3,(H3-,39,40,41,42,45,46,47)/p+1/t29-,33-,36-,37-/m0/s1 | Definition date: | 2016-08-23 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 4-{[(2S)-3-{2,16-dioxo-20-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium |
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![7G6 7G6](https://data.pdbj.org/pdbjplus/data/cc/svg/7G6.svg) | 7G6 | Name: | 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one | Formula: | C35 H35 F N6 O3 | SMILES: | CN1CCN(CC1)c2ccc(NC3=CC(=CN(C)C3=O)c4cccc(N5C=Cc6cc(cc(F)c6C5=O)C7CC7)c4CO)nc2 | InChi: | InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38) | Definition date: | 2016-10-19 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one |
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![7G7 7G7](https://data.pdbj.org/pdbjplus/data/cc/svg/7G7.svg) | 7G7 | Name: | 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one | Formula: | C34 H37 F N8 O3 | SMILES: | CN1CCC(CC1)c2ccc(NC3=CC(=NN(C)C3=O)c4ccnc(N5N=Cc6cc(cc(F)c6C5=O)C(C)(C)C)c4CO)nc2 | InChi: | InChI=1S/C34H37FN8O3/c1-34(2,3)23-14-22-18-38-43(33(46)30(22)26(35)15-23)31-25(19-44)24(8-11-36-31)27-16-28(32(45)42(5)40-27)39-29-7-6-21(17-37-29)20-9-12-41(4)13-10-20/h6-8,11,14-18,20,44H,9-10,12-13,19H2,1-5H3,(H,37,39) | Definition date: | 2016-10-19 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one |
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![7G8 7G8](https://data.pdbj.org/pdbjplus/data/cc/svg/7G8.svg) | 7G8 | Name: | 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide | Formula: | C26 H24 F N7 O3 | SMILES: | CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(c4)C(=O)NC)cc3)ncc2F)c1 | InChi: | InChI=1S/C26H24FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h4-15H,3H2,1-2H3,(H,28,36)(H,31,35)(H2,30,32,33,34) | Definition date: | 2016-10-19 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide |
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![7GB 7GB](https://data.pdbj.org/pdbjplus/data/cc/svg/7GB.svg) | 7GB | Name: | 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one | Formula: | C25 H24 N6 O3 | SMILES: | CC=CC(=O)N1CC[CH](C1)N2C(=O)N(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25 | InChi: | InChI=1S/C25H24N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h2-12,16,18H,13-15H2,1H3,(H2,26,27,28)/b6-2+/t18-/m1/s1 | Definition date: | 2016-10-19 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one |
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![7H8 7H8](https://data.pdbj.org/pdbjplus/data/cc/svg/7H8.svg) | 7H8 | Name: | 1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one | Formula: | C28 H38 N5 O2 | SMILES: | C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[CH](C[NH2+]1)CN5CCCC5=O | InChi: | InChI=1S/C28H37N5O2/c1-20-16-32(23(15-29-20)17-31-11-7-10-25(31)34)18-26(35)33-19-28(2,3)27-24(33)13-22(14-30-27)12-21-8-5-4-6-9-21/h4-6,8-9,13-14,20,23,29H,7,10-12,15-19H2,1-3H3/p+1/t20-,23-/m1/s1 | Definition date: | 2016-10-25 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one |
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![7H9 7H9](https://data.pdbj.org/pdbjplus/data/cc/svg/7H9.svg) | 7H9 | Name: | 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone | Formula: | C29 H41 F N5 O2 | SMILES: | C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[CH](C[NH2+]1)CN5CCOC[CH]5C | InChi: | InChI=1S/C29H40FN5O2/c1-20-15-34(25(14-31-20)16-33-9-10-37-18-21(33)2)17-27(36)35-19-29(3,4)28-26(35)12-23(13-32-28)11-22-5-7-24(30)8-6-22/h5-8,12-13,20-21,25,31H,9-11,14-19H2,1-4H3/p+1/t20-,21-,25-/m1/s1 | Definition date: | 2016-10-25 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone |
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![7HU 7HU](https://data.pdbj.org/pdbjplus/data/cc/svg/7HU.svg) | 7HU | Name: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone | Formula: | C25 H35 N4 O2 | SMILES: | COC[CH]1C[NH2+][CH](C)CN1CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23 | InChi: | InChI=1S/C25H34N4O2/c1-18-14-28(21(13-26-18)16-31-4)15-23(30)29-17-25(2,3)24-22(29)11-20(12-27-24)10-19-8-6-5-7-9-19/h5-9,11-12,18,21,26H,10,13-17H2,1-4H3/p+1/t18-,21-/m1/s1 | Definition date: | 2016-11-01 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone |
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![7J6 7J6](https://data.pdbj.org/pdbjplus/data/cc/svg/7J6.svg) | 7J6 | Name: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone | Formula: | C28 H38 N5 O3 | SMILES: | C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[CH](C[NH2+]1)C(=O)N5CCOCC5 | InChi: | InChI=1S/C28H37N5O3/c1-20-17-32(24(16-29-20)27(35)31-9-11-36-12-10-31)18-25(34)33-19-28(2,3)26-23(33)14-22(15-30-26)13-21-7-5-4-6-8-21/h4-8,14-15,20,24,29H,9-13,16-19H2,1-3H3/p+1/t20-,24-/m1/s1 | Definition date: | 2016-11-01 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone |
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![7KK 7KK](https://data.pdbj.org/pdbjplus/data/cc/svg/7KK.svg) | 7KK | Name: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide | Formula: | C21 H11 Br Cl2 F2 N2 O3 S | SMILES: | c2(c(c(cc(NS(c1c(cc(c(c1)F)Br)F)(=O)=O)c2)Cl)Oc4cc3ccccc3nc4)Cl | InChi: | InChI=1S/C21H11BrCl2F2N2O3S/c22-14-8-18(26)20(9-17(14)25)32(29,30)28-12-6-15(23)21(16(24)7-12)31-13-5-11-3-1-2-4-19(11)27-10-13/h1-10,28H | Definition date: | 2016-11-04 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide |
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![7Z6 7Z6](https://data.pdbj.org/pdbjplus/data/cc/svg/7Z6.svg) | 7Z6 | Name: | 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one | Formula: | C18 H15 Cl N6 O | SMILES: | Clc1cnc(NCc2cccnc2)nc1Nc3ccc4NC(=O)Cc4c3 | InChi: | InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25) | Definition date: | 2017-02-22 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one |
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