![X3P X3P](https://data.pdbj.org/pdbjplus/data/cc/svg/X3P.svg) | X3P | Name: | [(2~{R})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate | Formula: | C25 H51 N O8 P | SMILES: | CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCC[N](C)(C)C | InChi: | InChI=1S/C25H51NO8P/c1-6-8-10-12-14-16-18-25(28)34-23(21-31-24(27)17-15-13-11-9-7-2)22-33-35(29,30)32-20-19-26(3,4)5/h23H,6-22H2,1-5H3,(H,29,30)/t23-/m1/s1 | Definition date: | 2020-11-24 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | [(2~{R})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate |
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![GWF GWF](https://data.pdbj.org/pdbjplus/data/cc/svg/GWF.svg) | GWF | Name: | Tropifexor | Formula: | C29 H25 F4 N3 O5 S | SMILES: | OC(=O)c1cc(F)c2nc(sc2c1)N3[CH]4CC[CH]3C[CH](C4)OCc5c(onc5c6ccccc6OC(F)(F)F)C7CC7 | InChi: | InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+ | Definition date: | 2020-09-29 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 2-[(1~{R},5~{S})-3-[[5-cyclopropyl-3-[2-(trifluoromethyloxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoranyl-1,3-benzothiazole-6-carboxylic acid |
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![QTW QTW](https://data.pdbj.org/pdbjplus/data/cc/svg/QTW.svg) | QTW | Name: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[(~{E})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | Formula: | C25 H38 N6 O8 S | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CNC(=O)c3ccccc3)nn2)[CH](O)[CH]1O | InChi: | InChI=1S/C25H38N6O8S/c1-16(2)11-20(26)25(35)29-40(36,37)39-15-21-23(33)22(32)18(14-38-21)9-6-10-31-13-19(28-30-31)12-27-24(34)17-7-4-3-5-8-17/h3-5,7-8,13,16,18,20-23,32-33H,6,9-12,14-15,26H2,1-2H3,(H,27,34)(H,29,35)/t18-,20+,21-,22+,23-/m1/s1 | Definition date: | 2020-08-10 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | [(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(benzamidomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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![S1W S1W](https://data.pdbj.org/pdbjplus/data/cc/svg/S1W.svg) | S1W | Name: | 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol | Formula: | C18 H18 N4 O2 | SMILES: | CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1 | InChi: | InChI=1S/C18H18N4O2/c1-22(2)14-6-4-8-16(10-14)24-17-11-19-18(20-12-17)21-13-5-3-7-15(23)9-13/h3-12,23H,1-2H3,(H,19,20,21) | Definition date: | 2020-11-06 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol |
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![QY1 QY1](https://data.pdbj.org/pdbjplus/data/cc/svg/QY1.svg) | QY1 | Name: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid | Formula: | C23 H23 N O3 | SMILES: | c1cccc2ccc(nc12)COc3ccc(cc3)C(C(=O)O)C4CCCC4 | InChi: | InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1 | Definition date: | 2020-01-14 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid |
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![QY7 QY7](https://data.pdbj.org/pdbjplus/data/cc/svg/QY7.svg) | QY7 | Name: | 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid | Formula: | C27 H34 Cl N O2 S | SMILES: | c1c2c(ccc1C(C)C)n(c(c2SC(C)(C)C)CC(C(O)=O)(C)C)Cc3ccc(cc3)Cl | InChi: | InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | Definition date: | 2020-01-14 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid |
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![QYQ QYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QYQ.svg) | QYQ | Name: | ~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide | Formula: | C24 H27 Cl F3 N5 O4 S | SMILES: | CO[CH](C)c1n2nc(Cl)cc2ncc1Nc3ccc(cc3)[CH](N(C)C(=O)C4CC[S](=O)(=O)CC4)C(F)(F)F | InChi: | InChI=1S/C24H27ClF3N5O4S/c1-14(37-3)21-18(13-29-20-12-19(25)31-33(20)21)30-17-6-4-15(5-7-17)22(24(26,27)28)32(2)23(34)16-8-10-38(35,36)11-9-16/h4-7,12-14,16,22,30H,8-11H2,1-3H3/t14-,22-/m0/s1 | Definition date: | 2020-08-21 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | ~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide |
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![V1M V1M](https://data.pdbj.org/pdbjplus/data/cc/svg/V1M.svg) | V1M | Name: | methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate | Formula: | C16 H17 N O4 | SMILES: | Cc1cc(OC)ccc1OCc2ccc(nc2)C(=O)OC | InChi: | InChI=1S/C16H17NO4/c1-11-8-13(19-2)5-7-15(11)21-10-12-4-6-14(17-9-12)16(18)20-3/h4-9H,10H2,1-3H3 | Definition date: | 2020-06-12 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate |
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![V2D V2D](https://data.pdbj.org/pdbjplus/data/cc/svg/V2D.svg) | V2D | Name: | methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate | Formula: | C15 H15 N O4 | SMILES: | Cc1c(cccc1OCc2ncccc2C(OC)=O)O | InChi: | InChI=1S/C15H15NO4/c1-10-13(17)6-3-7-14(10)20-9-12-11(15(18)19-2)5-4-8-16-12/h3-8,17H,9H2,1-2H3 | Definition date: | 2020-06-18 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate |
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![V2G V2G](https://data.pdbj.org/pdbjplus/data/cc/svg/V2G.svg) | V2G | Name: | 2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid | Formula: | C12 H17 N6 O8 P | SMILES: | N(CC(O)=O)P(O)(=O)OCC1OC(C(C1O)O)n2cnc3c2ncnc3N | InChi: | InChI=1S/C12H17N6O8P/c13-10-7-11(15-3-14-10)18(4-16-7)12-9(22)8(21)5(26-12)2-25-27(23,24)17-1-6(19)20/h3-5,8-9,12,21-22H,1-2H2,(H,19,20)(H2,13,14,15)(H2,17,23,24)/t5-,8-,9-,12-/m1/s1 | Definition date: | 2020-06-19 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | {[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}acetic acid (non-preferred name) |
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![S7H S7H](https://data.pdbj.org/pdbjplus/data/cc/svg/S7H.svg) | S7H | Name: | 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione | Formula: | C12 H17 N3 O6 | SMILES: | C[CH](O)CN1C(=O)N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C1=O | InChi: | InChI=1S/C12H17N3O6/c1-7(16)2-13-10(17)14(3-8-5-20-8)12(19)15(11(13)18)4-9-6-21-9/h7-9,16H,2-6H2,1H3/t7-,8-,9+/m1/s1 | Definition date: | 2020-11-10 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione |
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![S7W S7W](https://data.pdbj.org/pdbjplus/data/cc/svg/S7W.svg) | S7W | Name: | TEGAFUR | Formula: | C8 H9 F N2 O3 | SMILES: | FC1=CN([CH]2CCCO2)C(=O)NC1=O | InChi: | InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m1/s1 | Definition date: | 2020-11-11 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 5-fluoranyl-1-[(2~{R})-oxolan-2-yl]pyrimidine-2,4-dione |
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![S8B S8B](https://data.pdbj.org/pdbjplus/data/cc/svg/S8B.svg) | S8B | Name: | ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide | Formula: | C16 H15 N3 O | SMILES: | CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2 | InChi: | InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20) | Definition date: | 2020-11-11 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide |
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![S8E S8E](https://data.pdbj.org/pdbjplus/data/cc/svg/S8E.svg) | S8E | Name: | 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine | Formula: | C9 H19 Br N5 O4 P | SMILES: | CCN[P](=O)(NCCBr)OCc1cnc(N(O)O)n1C | InChi: | InChI=1S/C9H19BrN5O4P/c1-3-12-20(18,13-5-4-10)19-7-8-6-11-9(14(8)2)15(16)17/h6,16-17H,3-5,7H2,1-2H3,(H2,12,13,18)/t20-/m1/s1 | Definition date: | 2020-11-11 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine |
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![S8H S8H](https://data.pdbj.org/pdbjplus/data/cc/svg/S8H.svg) | S8H | Name: | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid | Formula: | C13 H23 N3 O6 S | SMILES: | CC(C)OC(=O)CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O | InChi: | InChI=1S/C13H23N3O6S/c1-7(2)22-11(18)5-15-12(19)9(6-23)16-10(17)4-3-8(14)13(20)21/h7-9,23H,3-6,14H2,1-2H3,(H,15,19)(H,16,17)(H,20,21)/t8-,9+/m0/s1 | Definition date: | 2020-11-11 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid |
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![S8T S8T](https://data.pdbj.org/pdbjplus/data/cc/svg/S8T.svg) | S8T | Name: | 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine | Formula: | C17 H17 F S | SMILES: | CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1 | InChi: | InChI=1S/C17H17FS/c1-11(2)13-6-8-16-14(9-13)4-3-12-5-7-15(18)10-17(12)19-16/h5-11H,3-4H2,1-2H3 | Synonyms: | Isofloxythepin | Definition date: | 2020-11-11 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine |
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![WG4 WG4](https://data.pdbj.org/pdbjplus/data/cc/svg/WG4.svg) | WG4 | Name: | N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide | Formula: | C20 H25 N7 O S | SMILES: | CC(=O)Nc1sc(cn1)CN5CCC2(CN(CC2)c4cc(C)n3ccnc3n4)C5 | InChi: | InChI=1S/C20H25N7OS/c1-14-9-17(24-18-21-5-8-27(14)18)26-7-4-20(13-26)3-6-25(12-20)11-16-10-22-19(29-16)23-15(2)28/h5,8-10H,3-4,6-7,11-13H2,1-2H3,(H,22,23,28)/t20-/m0/s1 | Definition date: | 2020-10-28 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide |
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![V4M V4M](https://data.pdbj.org/pdbjplus/data/cc/svg/V4M.svg) | V4M | Name: | 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide | Formula: | C22 H18 Cl F2 N3 O4 | SMILES: | c2cc4C(N(C1CCC(NC1=O)=O)Cc4cc2CNC(C(F)(F)c3ccc(cc3)Cl)=O)=O | InChi: | InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)/t17-/m0/s1 | Definition date: | 2020-06-26 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide |
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![RGW RGW](https://data.pdbj.org/pdbjplus/data/cc/svg/RGW.svg) | RGW | Name: | ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide | Formula: | C30 H36 Cl N5 O S | SMILES: | Cc1sc2n3c(C)nnc3[CH](CC(=O)NCC45CC6CC(CC(C6)C4)C5)N[CH](c7ccc(Cl)cc7)c2c1C | InChi: | InChI=1S/C30H36ClN5OS/c1-16-17(2)38-29-26(16)27(22-4-6-23(31)7-5-22)33-24(28-35-34-18(3)36(28)29)11-25(37)32-15-30-12-19-8-20(13-30)10-21(9-19)14-30/h4-7,19-21,24,27,33H,8-15H2,1-3H3,(H,32,37)/t19-,20+,21-,24-,27+,30-/m0/s1 | Definition date: | 2020-09-29 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide |
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![H73 H73](https://data.pdbj.org/pdbjplus/data/cc/svg/H73.svg) | H73 | Name: | 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | Formula: | C27 H36 N12 O7 S | SMILES: | C(O)(C4CC(SCC3C(O)C(O)C(n2cnc1c2ncnc1N)O3)CCN4CCNC(=O)C=6C(C)(C)NC5=C(C(=O)NC(=N5)N)N=6)=O | InChi: | InChI=1S/C27H36N12O7S/c1-27(2)18(34-15-20(37-27)35-26(29)36-22(15)42)23(43)30-4-6-38-5-3-11(7-12(38)25(44)45)47-8-13-16(40)17(41)24(46-13)39-10-33-14-19(28)31-9-32-21(14)39/h9-13,16-17,24,40-41H,3-8H2,1-2H3,(H,30,43)(H,44,45)(H2,28,31,32)(H4,29,35,36,37,42)/t11-,12-,13-,16-,17-,24-/m1/s1 | Definition date: | 2020-10-09 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine |
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![QBW QBW](https://data.pdbj.org/pdbjplus/data/cc/svg/QBW.svg) | QBW | Name: | 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol | Formula: | C15 H17 N O2 | SMILES: | Oc1ccc(CCNCc2ccccc2)cc1O | InChi: | InChI=1S/C15H17NO2/c17-14-7-6-12(10-15(14)18)8-9-16-11-13-4-2-1-3-5-13/h1-7,10,16-18H,8-9,11H2 | Definition date: | 2020-06-03 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol |
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![PJQ PJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/PJQ.svg) | PJQ | Name: | 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione | Formula: | C23 H20 Cl F3 N4 O5 | SMILES: | CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4cccc(OC(F)(F)F)c4)nc12 | InChi: | InChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3 | Definition date: | 2020-04-23 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione |
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![R6Q R6Q](https://data.pdbj.org/pdbjplus/data/cc/svg/R6Q.svg) | R6Q | Name: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one | Formula: | C21 H21 F3 N2 O2 | SMILES: | FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc4ccccc34)cc1 | InChi: | InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27) | Definition date: | 2020-09-10 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one |
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![R7Q R7Q](https://data.pdbj.org/pdbjplus/data/cc/svg/R7Q.svg) | R7Q | Name: | 2-methyl-1-(4-methylphenyl)propan-1-one | Formula: | C11 H14 O | SMILES: | CC(C)C(=O)c1ccc(C)cc1 | InChi: | InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3 | Synonyms: | 2,4'-Dimethylpropiophenone | Definition date: | 2020-09-17 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 2-methyl-1-(4-methylphenyl)propan-1-one |
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![RMZ RMZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RMZ.svg) | RMZ | Name: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one | Formula: | C22 H27 N3 O | SMILES: | Cc1ccc(cc1C)N2CCN(CC[CH]3NC(=O)c4ccccc34)CC2 | InChi: | InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1 | Synonyms: | 3-(2-(4-(3,4-Dimethylphenyl)piperazin-1-yl)ethyl)isoindolin-1-one | Definition date: | 2020-10-09 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one |
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