![LGQ LGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/LGQ.svg) | LGQ | Name: | 6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine | Formula: | C18 H13 F3 N6 | SMILES: | Nc1nc(nc2[nH]nc(Nc3ccc(cc3)C(F)(F)F)c12)c4ccccc4 | InChi: | InChI=1S/C18H13F3N6/c19-18(20,21)11-6-8-12(9-7-11)23-16-13-14(22)24-15(25-17(13)27-26-16)10-4-2-1-3-5-10/h1-9H,(H4,22,23,24,25,26,27) | Definition date: | 2019-08-15 | Last modified: | 2019-08-30 | Release date: | 2019-09-04 | Identifier: | 6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
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![MWG MWG](https://data.pdbj.org/pdbjplus/data/cc/svg/MWG.svg) | MWG | Name: | (3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate | Formula: | C10 H18 F2 O7 P2 | SMILES: | C=C/C(C)(CCC=C(/CF)CF)OP(=O)(O)OP(O)(O)=O | InChi: | InChI=1S/C10H18F2O7P2/c1-3-10(2,6-4-5-9(7-11)8-12)18-21(16,17)19-20(13,14)15/h3,5H,1,4,6-8H2,2H3,(H,16,17)(H2,13,14,15)/t10-/m0/s1 | Definition date: | 2019-04-23 | Last modified: | 2019-08-30 | Release date: | 2019-09-04 | Identifier: | (3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate |
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![BWR BWR](https://data.pdbj.org/pdbjplus/data/cc/svg/BWR.svg) | BWR | Name: | ~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide | Formula: | C20 H23 N5 O2 S | SMILES: | NC1CCN(CC1)Cc2ccc(CNC(=O)c3csc4N=CNC(=O)c34)cc2 | InChi: | InChI=1S/C20H23N5O2S/c21-15-5-7-25(8-6-15)10-14-3-1-13(2-4-14)9-22-18(26)16-11-28-20-17(16)19(27)23-12-24-20/h1-4,11-12,15H,5-10,21H2,(H,22,26)(H,23,24,27) | Definition date: | 2019-03-25 | Last modified: | 2019-08-30 | Release date: | 2019-09-04 | Identifier: | ~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide |
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![JQ8 JQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/JQ8.svg) | JQ8 | Name: | phenylpropiolic acid | Formula: | C9 H6 O2 | SMILES: | OC(=O)C#Cc1ccccc1 | InChi: | InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11) | Definition date: | 2019-03-18 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | 3-phenylprop-2-ynoic acid |
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![JQH JQH](https://data.pdbj.org/pdbjplus/data/cc/svg/JQH.svg) | JQH | Name: | prFMN cofactor and phenylpropiolic acid adduct | Formula: | C30 H35 N4 O9 P | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34[N]5[CH](CC(C)(C)c(c1C)c25)C=C4c6ccccc6 | InChi: | InChI=1S/C30H35N4O9P/c1-15-10-20-24-23(16(15)2)29(3,4)12-18-11-19(17-8-6-5-7-9-17)30(34(18)24)26(31-28(39)32-27(30)38)33(20)13-21(35)25(37)22(36)14-43-44(40,41)42/h5-11,18,21-22,25,35-37H,12-14H2,1-4H3,(H,32,38,39)(H2,40,41,42)/t18-,21+,22-,25+,30+/m1/s1 | Definition date: | 2019-03-20 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 |
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![JQK JQK](https://data.pdbj.org/pdbjplus/data/cc/svg/JQK.svg) | JQK | Name: | [(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate | Formula: | C30 H39 N4 O9 P | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N4[CH](CCc5ccccc5)CC(C)(C)c(c1C)c24)C(=O)NC(=N3)O | InChi: | InChI=1S/C30H39N4O9P/c1-16-12-20-24-23(17(16)2)30(3,4)13-19(11-10-18-8-6-5-7-9-18)34(24)25-27(31-29(39)32-28(25)38)33(20)14-21(35)26(37)22(36)15-43-44(40,41)42/h5-9,12,19,21-22,26,35-37H,10-11,13-15H2,1-4H3,(H2,40,41,42)(H2,31,32,38,39)/t19-,21+,22-,26+/m1/s1 | Definition date: | 2019-03-20 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | [(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate |
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![JQQ JQQ](https://data.pdbj.org/pdbjplus/data/cc/svg/JQQ.svg) | JQQ | Name: | [(2~{R},3~{S},4~{S})-5-[(16~{S})-16-[(1~{S})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate | Formula: | C30 H38 F N4 O9 P | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N4[CH](CC(C)(C)c(c1C)c24)[CH](F)Cc5ccccc5)C(=O)NC(=N3)O | InChi: | InChI=1S/C30H38FN4O9P/c1-15-10-19-24-23(16(15)2)30(3,4)12-20(18(31)11-17-8-6-5-7-9-17)35(24)25-27(32-29(40)33-28(25)39)34(19)13-21(36)26(38)22(37)14-44-45(41,42)43/h5-10,18,20-22,26,36-38H,11-14H2,1-4H3,(H2,41,42,43)(H2,32,33,39,40)/t18-,20-,21-,22+,26-/m0/s1 | Definition date: | 2019-03-20 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | [(2~{R},3~{S},4~{S})-5-[(16~{S})-16-[(1~{S})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
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![JQZ JQZ](https://data.pdbj.org/pdbjplus/data/cc/svg/JQZ.svg) | JQZ | Name: | prFMN cofactor and phenylpropiolic acid | Formula: | C31 H36 N4 O11 P | SMILES: | Cc1cc2c3c(c1C)C(C)(C)C[CH]4C(=C(c5ccccc5)[c]6(C(=O)NC(=O)Nc6[n]2C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)[n]34)C(O)=O | InChi: | InChI=1S/C31H36N4O11P/c1-14-10-17-24-22(15(14)2)30(3,4)11-18-21(26(39)40)23(16-8-6-5-7-9-16)31(35(18)24)27(32-29(42)33-28(31)41)34(17)12-19(36)25(38)20(37)13-46-47(43,44)45/h5-10,18-20,25,36-38H,11-13H2,1-4H3,(H,39,40)(H2,43,44,45)(H2,32,33,41,42)/t18-,19-,20+,25-/m0/s1 | Definition date: | 2019-03-21 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 |
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![JRH JRH](https://data.pdbj.org/pdbjplus/data/cc/svg/JRH.svg) | JRH | Name: | prFMN cofactor and crotonic acid adduct | Formula: | C25 H35 N4 O9 P | SMILES: | C[CH]1C[CH]2CC(C)(C)c3c(C)c(C)cc4N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C5=NC(=O)NC(=O)[C]15[N]2c34 | InChi: | InChI=1S/C25H35N4O9P/c1-11-6-15-19-18(13(11)3)24(4,5)8-14-7-12(2)25(29(14)19)21(26-23(34)27-22(25)33)28(15)9-16(30)20(32)17(31)10-38-39(35,36)37/h6,12,14,16-17,20,30-32H,7-10H2,1-5H3,(H,27,33,34)(H2,35,36,37)/t12-,14-,16+,17-,20+,25+/m1/s1 | Definition date: | 2019-03-21 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 |
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![JRK JRK](https://data.pdbj.org/pdbjplus/data/cc/svg/JRK.svg) | JRK | Name: | prFMN cofactor and butynoic acid adduct | Formula: | C26 H33 N4 O11 P | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34[N]5[CH](CC(C)(C)c(c1C)c25)C(=C4C)C(O)=O | InChi: | InChI=1S/C26H33N4O11P/c1-10-6-13-19-18(11(10)2)25(4,5)7-14-17(21(34)35)12(3)26(30(14)19)22(27-24(37)28-23(26)36)29(13)8-15(31)20(33)16(32)9-41-42(38,39)40/h6,14-16,20,31-33H,7-9H2,1-5H3,(H,34,35)(H,28,36,37)(H2,38,39,40)/t14-,15-,16+,20-,26-/m0/s1 | Definition date: | 2019-03-21 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 |
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![JRN JRN](https://data.pdbj.org/pdbjplus/data/cc/svg/JRN.svg) | JRN | Name: | prFMN cofactor and pentafluorocinnamic acid adduct | Formula: | C30 H34 F5 N4 O9 P | SMILES: | Cc1cc2c3c(c1C)C(C)(C)C[CH](CCc4c(F)c(F)c(F)c(F)c4F)[n+]3c5C(=O)NC(=O)Nc5[n+]2C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O | InChi: | InChI=1S/C30H32F5N4O9P/c1-11-7-15-24-18(12(11)2)30(3,4)8-13(5-6-14-19(31)21(33)23(35)22(34)20(14)32)39(24)25-27(36-29(44)37-28(25)43)38(15)9-16(40)26(42)17(41)10-48-49(45,46)47/h7,13,16-17,26,40-42H,5-6,8-10H2,1-4H3,(H2-,37,43,44,45,46,47)/p+2/t13-,16+,17-,26+/m1/s1 | Definition date: | 2019-03-21 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | [(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-16-[2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]ethyl]-4,6-diaza-1,8-diazoniatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,7,9,11,13(17)-pentaen-8-yl]pentyl] dihydrogen phosphate |
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![N1V N1V](https://data.pdbj.org/pdbjplus/data/cc/svg/N1V.svg) | N1V | Name: | (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate | Formula: | C28 H35 N O3 S | SMILES: | c1c(cccc1)C=3C2(C(C(OS(N)(=O)=O)CC2)CC=3CCCCCC)C(=C)c4ccccc4 | InChi: | InChI=1S/C28H35NO3S/c1-3-4-5-8-17-24-20-25-26(32-33(29,30)31)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H2,29,30,31)/t25-,26-,28-/m0/s1 | Definition date: | 2019-04-30 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate |
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![JSH JSH](https://data.pdbj.org/pdbjplus/data/cc/svg/JSH.svg) | JSH | Name: | prFMN cofactor and cinnamic acid adduct | Formula: | C30 H37 N4 O9 P | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34[CH](C[CH]5CC(C)(C)c(c1C)c2[N]45)c6ccccc6 | InChi: | InChI=1S/C30H37N4O9P/c1-15-10-20-24-23(16(15)2)29(3,4)12-18-11-19(17-8-6-5-7-9-17)30(34(18)24)26(31-28(39)32-27(30)38)33(20)13-21(35)25(37)22(36)14-43-44(40,41)42/h5-10,18-19,21-22,25,35-37H,11-14H2,1-4H3,(H,32,38,39)(H2,40,41,42)/t18-,19+,21+,22-,25+,30+/m1/s1 | Definition date: | 2019-03-22 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 |
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![N27 N27](https://data.pdbj.org/pdbjplus/data/cc/svg/N27.svg) | N27 | Name: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide | Formula: | C30 H37 N O | SMILES: | C=C(C21C(C(NC(C)=O)CC1)CC(CCCCCC)=C2c3ccccc3)c4ccccc4 | InChi: | InChI=1S/C30H37NO/c1-4-5-6-9-18-26-21-27-28(31-23(3)32)19-20-30(27,22(2)24-14-10-7-11-15-24)29(26)25-16-12-8-13-17-25/h7-8,10-17,27-28H,2,4-6,9,18-21H2,1,3H3,(H,31,32)/t27-,28-,30-/m0/s1 | Definition date: | 2019-04-30 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide |
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![N2J N2J](https://data.pdbj.org/pdbjplus/data/cc/svg/N2J.svg) | N2J | Name: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide | Formula: | C28 H36 N2 O2 S | SMILES: | C3C1C(NS(N)(=O)=O)CCC1(C(=C)c2ccccc2)C(=C3CCCCCC)c4ccccc4 | InChi: | InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25-,26-,28-/m0/s1 | Definition date: | 2019-04-30 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide |
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![JUQ JUQ](https://data.pdbj.org/pdbjplus/data/cc/svg/JUQ.svg) | JUQ | Name: | (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid | Formula: | C24 H23 N3 O4 | SMILES: | COc1nc(ncc1N(CC2CC2)c3cccc4ccccc34)C(=O)[CH]5C[CH]5C(O)=O | InChi: | InChI=1S/C24H23N3O4/c1-31-23-20(12-25-22(26-23)21(28)17-11-18(17)24(29)30)27(13-14-9-10-14)19-8-4-6-15-5-2-3-7-16(15)19/h2-8,12,14,17-18H,9-11,13H2,1H3,(H,29,30)/t17-,18-/m0/s1 | Definition date: | 2019-03-29 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid |
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![K9Q K9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/K9Q.svg) | K9Q | Name: | (2~{S},4~{R})-~{N}-[(2~{S})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C20 H25 N3 O2 | SMILES: | NC[CH](Cc1ccc(cc1)c2ccccc2)NC(=O)[CH]3C[CH](O)CN3 | InChi: | InChI=1S/C20H25N3O2/c21-12-17(23-20(25)19-11-18(24)13-22-19)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-19,22,24H,10-13,21H2,(H,23,25)/t17-,18+,19-/m0/s1 | Definition date: | 2019-05-08 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | (2~{S},4~{R})-~{N}-[(2~{S})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![K9W K9W](https://data.pdbj.org/pdbjplus/data/cc/svg/K9W.svg) | K9W | Name: | (2~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide | Formula: | C21 H24 N4 O | SMILES: | NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3CCCN3 | InChi: | InChI=1S/C21H24N4O/c22-13-16-5-9-18(10-6-16)17-7-3-15(4-8-17)12-19(14-23)25-21(26)20-2-1-11-24-20/h3-10,19-20,24H,1-2,11-12,14,23H2,(H,25,26)/t19-,20-/m0/s1 | Definition date: | 2019-05-08 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | (2~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide |
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![K9Z K9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/K9Z.svg) | K9Z | Name: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C21 H24 N4 O2 | SMILES: | NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3C[CH](O)CN3 | InChi: | InChI=1S/C21H24N4O2/c22-11-15-3-7-17(8-4-15)16-5-1-14(2-6-16)9-18(12-23)25-21(27)20-10-19(26)13-24-20/h1-8,18-20,24,26H,9-10,12-13,23H2,(H,25,27)/t18-,19-,20-/m0/s1 | Definition date: | 2019-05-08 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![KA8 KA8](https://data.pdbj.org/pdbjplus/data/cc/svg/KA8.svg) | KA8 | Name: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide | Formula: | C21 H23 F N4 O | SMILES: | NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3C[CH](F)CN3 | InChi: | InChI=1S/C21H23FN4O/c22-18-10-20(25-13-18)21(27)26-19(12-24)9-14-1-5-16(6-2-14)17-7-3-15(11-23)4-8-17/h1-8,18-20,25H,9-10,12-13,24H2,(H,26,27)/t18-,19-,20-/m0/s1 | Definition date: | 2019-05-08 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide |
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![KAQ KAQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KAQ.svg) | KAQ | Name: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide | Formula: | C22 H26 N4 O S | SMILES: | CS[CH]1CN[CH](C1)C(=O)N[CH](CN)Cc2ccc(cc2)c3ccc(cc3)C#N | InChi: | InChI=1S/C22H26N4OS/c1-28-20-11-21(25-14-20)22(27)26-19(13-24)10-15-2-6-17(7-3-15)18-8-4-16(12-23)5-9-18/h2-9,19-21,25H,10-11,13-14,24H2,1H3,(H,26,27)/t19-,20-,21-/m0/s1 | Definition date: | 2019-05-08 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide |
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![ZCQ ZCQ](https://data.pdbj.org/pdbjplus/data/cc/svg/ZCQ.svg) | ZCQ | Name: | 3-nitrophenol | Formula: | C6 H5 N O3 | SMILES: | O=[N+]([O-])c1cccc(O)c1 | InChi: | InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H | Definition date: | 2012-12-17 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | 3-nitrophenol |
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![O3V O3V](https://data.pdbj.org/pdbjplus/data/cc/svg/O3V.svg) | O3V | Name: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one | Formula: | C22 H19 N3 O2 S | SMILES: | c31nc5c(c(c1c(n(c2ccccc2)n3)O)c4cccs4)C(CC(C)(C5)C)=O | InChi: | InChI=1S/C22H19N3O2S/c1-22(2)11-14-17(15(26)12-22)18(16-9-6-10-28-16)19-20(23-14)24-25(21(19)27)13-7-4-3-5-8-13/h3-10,27H,11-12H2,1-2H3 | Definition date: | 2019-06-07 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
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![O4A O4A](https://data.pdbj.org/pdbjplus/data/cc/svg/O4A.svg) | O4A | Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide | Formula: | C21 H19 N3 O4 | SMILES: | c32c1cc(C)ccc1OCc2cnn3CC(Nc5cc4OCCOc4cc5)=O | InChi: | InChI=1S/C21H19N3O4/c1-13-2-4-17-16(8-13)21-14(12-28-17)10-22-24(21)11-20(25)23-15-3-5-18-19(9-15)27-7-6-26-18/h2-5,8-10H,6-7,11-12H2,1H3,(H,23,25) | Definition date: | 2019-06-07 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide |
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![O4D O4D](https://data.pdbj.org/pdbjplus/data/cc/svg/O4D.svg) | O4D | Name: | 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide | Formula: | C21 H28 N6 O2 | SMILES: | c2(c3c(n(CC(NCCCN1CCOCC1)=O)n2)nc(cc3C)C)n4cccc4 | InChi: | InChI=1S/C21H28N6O2/c1-16-14-17(2)23-20-19(16)21(26-8-3-4-9-26)24-27(20)15-18(28)22-6-5-7-25-10-12-29-13-11-25/h3-4,8-9,14H,5-7,10-13,15H2,1-2H3,(H,22,28) | Definition date: | 2019-06-07 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide |
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