![VLX VLX](https://data.pdbj.org/pdbjplus/data/cc/svg/VLX.svg) | VLX | Name: | (2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide | Formula: | C11 H20 N2 O2 | SMILES: | CCC[CH]1CN([CH](CC)C(N)=O)C(=O)C1 | InChi: | InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1 | Definition date: | 2023-07-28 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (2~{S})-2-[(4~{R})-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide |
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![VZW VZW](https://data.pdbj.org/pdbjplus/data/cc/svg/VZW.svg) | VZW | Name: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid | Formula: | C24 H23 F N4 O6 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5 | InChi: | InChI=1S/C24H23FN4O6S/c25-19-11-17-20(29(15-3-4-15)13-18(22(17)30)24(32)33)12-21(19)27-7-9-28(10-8-27)23(31)14-1-5-16(6-2-14)36(26,34)35/h1-2,5-6,11-13,15H,3-4,7-10H2,(H,32,33)(H2,26,34,35) | Definition date: | 2023-04-21 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid |
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![W0E W0E](https://data.pdbj.org/pdbjplus/data/cc/svg/W0E.svg) | W0E | Name: | 3-azanyl-5-methyl-phenol | Formula: | C7 H9 N O | SMILES: | Cc1cc(N)cc(O)c1 | InChi: | InChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3 | Definition date: | 2023-04-21 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 3-azanyl-5-methyl-phenol |
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![W0K W0K](https://data.pdbj.org/pdbjplus/data/cc/svg/W0K.svg) | W0K | Name: | ~{N}-(2-sulfanylethyl)ethanamide | Formula: | C4 H9 N O S | SMILES: | CC(=O)NCCS | InChi: | InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6) | Definition date: | 2023-04-21 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | ~{N}-(2-sulfanylethyl)ethanamide |
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![W0O W0O](https://data.pdbj.org/pdbjplus/data/cc/svg/W0O.svg) | W0O | Name: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C23 H24 N6 O | SMILES: | CN1CCC(CC1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25 | InChi: | InChI=1S/C23H24N6O/c1-28-13-11-17(12-14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H2,24,25,26) | Definition date: | 2023-04-21 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
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![W1O W1O](https://data.pdbj.org/pdbjplus/data/cc/svg/W1O.svg) | W1O | Name: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid | Formula: | C25 H26 F N5 O6 S | SMILES: | N[S](=O)(=O)c1ccc(CNC(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5)cc1 | InChi: | InChI=1S/C25H26FN5O6S/c26-20-11-18-21(31(16-3-4-16)14-19(23(18)32)24(33)34)12-22(20)29-7-9-30(10-8-29)25(35)28-13-15-1-5-17(6-2-15)38(27,36)37/h1-2,5-6,11-12,14,16H,3-4,7-10,13H2,(H,28,35)(H,33,34)(H2,27,36,37) | Definition date: | 2023-04-24 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid |
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![W2W W2W](https://data.pdbj.org/pdbjplus/data/cc/svg/W2W.svg) | W2W | Name: | 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one | Formula: | C26 H28 F N7 O3 S | SMILES: | CN1CCN(CC1)[S](=O)(=O)c2ccc(NC3=C(C)C(=O)N4C=C(C=CC4=N3)c5cnn(c5)C6CC6)c(F)c2 | InChi: | InChI=1S/C26H28FN7O3S/c1-17-25(29-23-7-6-21(13-22(23)27)38(36,37)32-11-9-31(2)10-12-32)30-24-8-3-18(15-33(24)26(17)35)19-14-28-34(16-19)20-4-5-20/h3,6-8,13-16,20,29H,4-5,9-12H2,1-2H3 | Definition date: | 2023-04-26 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one |
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![W53 W53](https://data.pdbj.org/pdbjplus/data/cc/svg/W53.svg) | W53 | Name: | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide | Formula: | C23 H26 N8 O | SMILES: | NCCCNC(=O)C(Cc1ccc2ccc(N)nc2n1)Cc3ccc4ccc(N)nc4n3 | InChi: | InChI=1S/C23H26N8O/c24-10-1-11-27-23(32)16(12-17-6-2-14-4-8-19(25)30-21(14)28-17)13-18-7-3-15-5-9-20(26)31-22(15)29-18/h2-9,16H,1,10-13,24H2,(H,27,32)(H2,25,28,30)(H2,26,29,31) | Definition date: | 2023-09-25 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide |
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![UTI UTI](https://data.pdbj.org/pdbjplus/data/cc/svg/UTI.svg) | UTI | Name: | (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol | Formula: | C30 H33 Br F N3 O5 | SMILES: | COc1cc(cc(OC)n1)[C](O)(CCN(C)C)[CH](c2cccc(OC)c2F)c3cc4cc(Br)ccc4nc3OC | InChi: | InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1 | Synonyms: | TBAJ-587 | Definition date: | 2023-06-21 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol |
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![WRU WRU](https://data.pdbj.org/pdbjplus/data/cc/svg/WRU.svg) | WRU | Name: | Mianserin | Formula: | C18 H20 N2 | SMILES: | CN1CC2N(CC1)c1ccccc1Cc1ccccc21 | InChi: | InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | Definition date: | 2023-10-10 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (5S,14bS)-2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine |
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![WUX WUX](https://data.pdbj.org/pdbjplus/data/cc/svg/WUX.svg) | WUX | Name: | 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid | Formula: | C33 H54 O6 | SMILES: | C[CH]1[CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O)C[CH]4[CH]([CH](C[C]34C)OC(C)=O)[CH](CCCC5CCCC5)C(O)=O | InChi: | InChI=1S/C33H54O6/c1-19-23-13-16-32(4)29(31(23,3)15-14-25(19)35)26(36)17-24-28(27(39-20(2)34)18-33(24,32)5)22(30(37)38)12-8-11-21-9-6-7-10-21/h19,21-29,35-36H,6-18H2,1-5H3,(H,37,38)/t19-,22-,23-,24-,25+,26+,27-,28-,29-,31-,32-,33-/m0/s1 | Definition date: | 2023-05-22 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid |
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![X1L X1L](https://data.pdbj.org/pdbjplus/data/cc/svg/X1L.svg) | X1L | Name: | N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | Formula: | C20 H23 F2 N3 O4 S | SMILES: | FC(C)(F)c1nc(Oc2ccccc2)c(cn1)C(=O)NC(CCS(C)(=O)=O)C1CC1 | InChi: | InChI=1S/C20H23F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,26) | Definition date: | 2023-10-19 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide |
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![X8L X8L](https://data.pdbj.org/pdbjplus/data/cc/svg/X8L.svg) | X8L | Name: | L-gulono-1,4-lactone | Formula: | C6 H10 O6 | SMILES: | OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1 | Synonyms: | (3S,4R,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one | Definition date: | 2023-10-25 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (3~{S},4~{R},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one |
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![X8X X8X](https://data.pdbj.org/pdbjplus/data/cc/svg/X8X.svg) | X8X | Name: | L-galactono-1,4-lactone | Formula: | C6 H10 O6 | SMILES: | OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1 | Synonyms: | (3S,4S,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one | Definition date: | 2023-10-25 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (3~{S},4~{S},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one |
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![4EY 4EY](https://data.pdbj.org/pdbjplus/data/cc/svg/4EY.svg) | 4EY | Name: | 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium | Formula: | C12 H15 N O8 P S2 | SMILES: | O=C(S)c1cc(c[n+](c1)C1OC(COP(=O)(O)O)C(O)C1O)C=S | InChi: | InChI=1S/C12H14NO8PS2/c14-9-8(4-20-22(17,18)19)21-11(10(9)15)13-2-6(5-23)1-7(3-13)12(16)24/h1-3,5,8-11,14-15H,4H2,(H2-,16,17,18,19,24)/p+1/t8-,9-,10-,11-/m1/s1 | Synonyms: | Dithiodinicotinic acid mononucleotide | Definition date: | 2015-03-13 | Last modified: | 2024-04-25 | Release date: | 2015-07-15 | Identifier: | 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium |
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![J4D J4D](https://data.pdbj.org/pdbjplus/data/cc/svg/J4D.svg) | J4D | Name: | N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea | Formula: | C13 H5 F5 N4 O8 S | SMILES: | O=S(=O)([N+]([O-])=O)c1cc(c(O)c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1)[N+]([O-])=O | InChi: | InChI=1S/C13H5F5N4O8S/c14-6-7(15)9(17)11(10(18)8(6)16)20-13(24)19-4-1-3(31(29,30)22(27)28)2-5(12(4)23)21(25)26/h1-2,23H,(H2,19,20,24) | Definition date: | 2018-08-09 | Last modified: | 2024-04-25 | Release date: | 2018-11-28 | Identifier: | N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea |
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![8QJ 8QJ](https://data.pdbj.org/pdbjplus/data/cc/svg/8QJ.svg) | 8QJ | Name: | (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium | Formula: | C9 H16 N3 O3 S | SMILES: | OSc1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1 | InChi: | InChI=1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1 | Definition date: | 2017-03-01 | Last modified: | 2024-04-25 | Release date: | 2018-03-07 | Identifier: | (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium |
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![EQ1 EQ1](https://data.pdbj.org/pdbjplus/data/cc/svg/EQ1.svg) | EQ1 | Name: | 2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium | Formula: | C23 H30 N13 O14 P2 | SMILES: | NC1=Nc2c(ncn2C2OC(COP(=O)(O)[n+]3ccn(c3N)P(=O)(O)OCC3OC(n4cnc5c4N=C(N)NC5=O)C(O)C3O)C(O)C2O)C(=O)N1 | InChi: | InChI=1S/C23H29N13O14P2/c24-21-29-15-9(17(41)31-21)27-5-33(15)19-13(39)11(37)7(49-19)3-47-51(43,44)35-1-2-36(23(35)26)52(45,46)48-4-8-12(38)14(40)20(50-8)34-6-28-10-16(34)30-22(25)32-18(10)42/h1-2,5-8,11-14,19-20,26,37-40H,3-4H2,(H8,24,25,29,30,31,32,41,42,43,44,45,46)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | Definition date: | 2018-01-25 | Last modified: | 2024-04-25 | Release date: | 2018-05-30 | Identifier: | 2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium (non-preferred name) |
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![C6J C6J](https://data.pdbj.org/pdbjplus/data/cc/svg/C6J.svg) | C6J | Name: | 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium | Formula: | C8 H14 N O6 P2 | SMILES: | O=P(O)(O)C(Cc1cccc[n+]1C)P(=O)(O)O | InChi: | InChI=1S/C8H13NO6P2/c1-9-5-3-2-4-7(9)6-8(16(10,11)12)17(13,14)15/h2-5,8H,6H2,1H3,(H3-,10,11,12,13,14,15)/p+1 | Definition date: | 2017-09-14 | Last modified: | 2024-04-25 | Release date: | 2017-12-13 | Identifier: | 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium |
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![C6M C6M](https://data.pdbj.org/pdbjplus/data/cc/svg/C6M.svg) | C6M | Name: | 2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium | Formula: | C10 H18 N O6 P2 | SMILES: | O=P(O)(O)C(Cc1cccc[n+]1CCC)P(=O)(O)O | InChi: | InChI=1S/C10H17NO6P2/c1-2-6-11-7-4-3-5-9(11)8-10(18(12,13)14)19(15,16)17/h3-5,7,10H,2,6,8H2,1H3,(H3-,12,13,14,15,16,17)/p+1 | Definition date: | 2017-09-14 | Last modified: | 2024-04-25 | Release date: | 2017-12-13 | Identifier: | 2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium |
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![50L 50L](https://data.pdbj.org/pdbjplus/data/cc/svg/50L.svg) | 50L | Name: | (5S)-2-amino-8-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a][1,3,5]triazin-4(8H)-one | Formula: | C10 H14 N5 O8 P | SMILES: | O=P(O)(O)OCC1OC(N2C=CN3C(=O)N=C(N)N=C32)C(O)C1O | InChi: | InChI=1S/C10H14N5O8P/c11-8-12-9-14(1-2-15(9)10(18)13-8)7-6(17)5(16)4(23-7)3-22-24(19,20)21/h1-2,4-7,16-17H,3H2,(H2,11,13,18)(H2,19,20,21)/t4-,5-,6-,7-/m1/s1 | Definition date: | 2015-07-08 | Last modified: | 2024-04-25 | Release date: | 2015-08-12 | Identifier: | (5S)-2-amino-8-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a][1,3,5]triazin-4(8H)-one |
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![DE4 DE4](https://data.pdbj.org/pdbjplus/data/cc/svg/DE4.svg) | DE4 | Name: | (4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol | Formula: | C18 H21 N3 O3 | SMILES: | [O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2ccccc2)C1 | InChi: | InChI=1S/C18H21N3O3/c22-13-15-6-7-16(10-18(15)21(23)24)19-17-8-9-20(12-17)11-14-4-2-1-3-5-14/h1-7,10,17,19,22H,8-9,11-13H2/t17-/m1/s1 | Definition date: | 2017-10-24 | Last modified: | 2024-04-25 | Release date: | 2018-10-03 | Identifier: | (4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol |
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![DF7 DF7](https://data.pdbj.org/pdbjplus/data/cc/svg/DF7.svg) | DF7 | Name: | [4-({(3R)-1-[(1H-indol-3-yl)methyl]pyrrolidin-3-yl}amino)-2-nitrophenyl]methanol | Formula: | C20 H22 N4 O3 | SMILES: | [O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2c[NH]c3ccccc23)C1 | InChi: | InChI=1S/C20H22N4O3/c25-13-14-5-6-16(9-20(14)24(26)27)22-17-7-8-23(12-17)11-15-10-21-19-4-2-1-3-18(15)19/h1-6,9-10,17,21-22,25H,7-8,11-13H2/t17-/m1/s1 | Definition date: | 2017-10-25 | Last modified: | 2024-04-25 | Release date: | 2018-10-03 | Identifier: | [4-({(3R)-1-[(1H-indol-3-yl)methyl]pyrrolidin-3-yl}amino)-2-nitrophenyl]methanol |
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![DJ4 DJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/DJ4.svg) | DJ4 | Name: | (2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol | Formula: | C19 H20 F3 N3 O3 | SMILES: | [O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2ccc(cc2)C(F)(F)F)C1 | InChi: | InChI=1S/C19H20F3N3O3/c20-19(21,22)15-4-1-13(2-5-15)10-24-8-7-17(11-24)23-16-6-3-14(12-26)18(9-16)25(27)28/h1-6,9,17,23,26H,7-8,10-12H2/t17-/m0/s1 | Definition date: | 2017-10-25 | Last modified: | 2024-04-25 | Release date: | 2018-10-03 | Identifier: | (2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol |
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![E9A E9A](https://data.pdbj.org/pdbjplus/data/cc/svg/E9A.svg) | E9A | Name: | 1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium | Formula: | C27 H35 N2 O3 | SMILES: | CC(C)C1CCC(C)CC1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 | InChi: | InChI=1S/C27H35N2O3/c1-19(2)22-15-14-20(3)16-25(22)32-27(30)17-29-24-13-9-8-12-23(24)28(4)26(29)18-31-21-10-6-5-7-11-21/h5-13,19-20,22,25H,14-18H2,1-4H3/q+1/t20-,22+,25+/m0/s1 | Definition date: | 2017-12-13 | Last modified: | 2024-04-25 | Release date: | 2018-12-12 | Identifier: | 1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium |
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