![6YK 6YK](https://data.pdbj.org/pdbjplus/data/cc/svg/6YK.svg) | 6YK | Name: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid | Formula: | C38 H58 N6 O7 S | SMILES: | CC[CH](C)[CH](NC(=O)[C]1(C)CCCN1C)C(=O)N(C)[CH](C[CH](OC(C)=O)c2scc(n2)C(=O)N[CH](C[CH](C)C(O)=O)Cc3ccc(N)cc3)C(C)C | InChi: | InChI=1S/C38H58N6O7S/c1-10-23(4)32(42-37(50)38(7)16-11-17-43(38)8)35(47)44(9)30(22(2)3)20-31(51-25(6)45)34-41-29(21-52-34)33(46)40-28(18-24(5)36(48)49)19-26-12-14-27(39)15-13-26/h12-15,21-24,28,30-32H,10-11,16-20,39H2,1-9H3,(H,40,46)(H,42,50)(H,48,49)/t23-,24-,28+,30+,31+,32-,38+/m0/s1 | Definition date: | 2016-07-25 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid |
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![6YS 6YS](https://data.pdbj.org/pdbjplus/data/cc/svg/6YS.svg) | 6YS | Name: | (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | Formula: | C15 H15 F2 N O5 S | SMILES: | N[C]1([CH](CSc2ccc(F)c(F)c2)[CH](O)[CH]3[CH]([CH]13)C(O)=O)C(O)=O | InChi: | InChI=1S/C15H15F2NO5S/c16-7-2-1-5(3-8(7)17)24-4-6-12(19)9-10(13(20)21)11(9)15(6,18)14(22)23/h1-3,6,9-12,19H,4,18H2,(H,20,21)(H,22,23)/t6-,9+,10+,11+,12-,15+/m1/s1 | Definition date: | 2016-07-27 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid |
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![72P 72P](https://data.pdbj.org/pdbjplus/data/cc/svg/72P.svg) | 72P | Name: | 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid | Formula: | C22 H16 Cl N O2 S | SMILES: | Cc1n(c2ccccc2)c3cc(Cl)ccc3c1Sc4cccc(c4)C(O)=O | InChi: | InChI=1S/C22H16ClNO2S/c1-14-21(27-18-9-5-6-15(12-18)22(25)26)19-11-10-16(23)13-20(19)24(14)17-7-3-2-4-8-17/h2-13H,1H3,(H,25,26) | Definition date: | 2016-08-17 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid |
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![76C 76C](https://data.pdbj.org/pdbjplus/data/cc/svg/76C.svg) | 76C | Name: | 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile | Formula: | C21 H17 Cl F N9 O | SMILES: | C[CH](Nc1nc(N)nc(N)c1C#N)C2=Nc3cccc(Cl)c3C(=O)N2c4cncc(F)c4C | InChi: | InChI=1S/C21H17ClFN9O/c1-9-13(23)7-27-8-15(9)32-19(29-14-5-3-4-12(22)16(14)20(32)33)10(2)28-18-11(6-24)17(25)30-21(26)31-18/h3-5,7-8,10H,1-2H3,(H5,25,26,28,30,31)/t10-/m0/s1 | Definition date: | 2016-09-07 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile |
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![7M2 7M2](https://data.pdbj.org/pdbjplus/data/cc/svg/7M2.svg) | 7M2 | Name: | (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline | Formula: | C16 H13 N3 | SMILES: | N1[CH](c2cccnc2)c3cccn3c4ccccc14 | InChi: | InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H/t16-/m1/s1 | Definition date: | 2016-11-18 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline |
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![7M5 7M5](https://data.pdbj.org/pdbjplus/data/cc/svg/7M5.svg) | 7M5 | Name: | 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline | Formula: | C16 H11 N3 | SMILES: | c1ccc2n3cccc3c(nc2c1)c4cccnc4 | InChi: | InChI=1S/C16H11N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11H | Definition date: | 2016-11-18 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline |
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![7M9 7M9](https://data.pdbj.org/pdbjplus/data/cc/svg/7M9.svg) | 7M9 | Name: | 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol | Formula: | C21 H14 N2 O | SMILES: | Oc1ccc2ccccc2c1c3nc4ccccc4n5cccc35 | InChi: | InChI=1S/C21H14N2O/c24-19-12-11-14-6-1-2-7-15(14)20(19)21-18-10-5-13-23(18)17-9-4-3-8-16(17)22-21/h1-13,24H | Definition date: | 2016-11-20 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol |
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![7N2 7N2](https://data.pdbj.org/pdbjplus/data/cc/svg/7N2.svg) | 7N2 | Name: | (4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline | Formula: | C23 H16 F3 N3 O2 S | SMILES: | FC(F)(F)c1cccc(c1)[S](=O)(=O)N2[CH](c3cccnc3)c4cccn4c5ccccc25 | InChi: | InChI=1S/C23H16F3N3O2S/c24-23(25,26)17-7-3-8-18(14-17)32(30,31)29-20-10-2-1-9-19(20)28-13-5-11-21(28)22(29)16-6-4-12-27-15-16/h1-15,22H/t22-/m1/s1 | Definition date: | 2016-11-22 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | (4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline |
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![7O6 7O6](https://data.pdbj.org/pdbjplus/data/cc/svg/7O6.svg) | 7O6 | Name: | [(2~{S},3~{R},4~{R})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate | Formula: | C17 H20 N4 O10 P | SMILES: | Cc1cc2nc3C(=O)NC(=O)Nc3[n+](C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C=O | InChi: | InChI=1S/C17H19N4O10P/c1-7-2-9-10(3-8(7)5-22)21(15-13(18-9)16(26)20-17(27)19-15)4-11(23)14(25)12(24)6-31-32(28,29)30/h2-3,5,11-12,14,23-25H,4,6H2,1H3,(H3,20,26,27,28,29,30)/p+1/t11-,12+,14-/m1/s1 | Definition date: | 2016-12-01 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | [(2~{S},3~{R},4~{R})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
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![5W6 5W6](https://data.pdbj.org/pdbjplus/data/cc/svg/5W6.svg) | 5W6 | Name: | ~{N}-[2-[[6-chloranyl-3-[3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide | Formula: | C24 H31 Cl N6 O5 S | SMILES: | COc1ccc(cc1[S](=O)(=O)N2CCC(CO)CC2)c3n4nc(Cl)cc(NCCNC(C)=O)c4nc3C | InChi: | InChI=1S/C24H31ClN6O5S/c1-15-23(31-24(28-15)19(13-22(25)29-31)27-9-8-26-16(2)33)18-4-5-20(36-3)21(12-18)37(34,35)30-10-6-17(14-32)7-11-30/h4-5,12-13,17,27,32H,6-11,14H2,1-3H3,(H,26,33) | Definition date: | 2015-12-15 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | ~{N}-[2-[[6-chloranyl-3-[3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide |
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![5W7 5W7](https://data.pdbj.org/pdbjplus/data/cc/svg/5W7.svg) | 5W7 | Name: | ~{N}-[2-[[3-[3-[(4-azanylcyclohexyl)sulfamoyl]-4-methoxy-phenyl]-6-chloranyl-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide | Formula: | C24 H32 Cl N7 O4 S | SMILES: | COc1ccc(cc1[S](=O)(=O)N[CH]2CC[CH](N)CC2)c3n4nc(Cl)cc(NCCNC(C)=O)c4nc3C | InChi: | InChI=1S/C24H32ClN7O4S/c1-14-23(32-24(29-14)19(13-22(25)30-32)28-11-10-27-15(2)33)16-4-9-20(36-3)21(12-16)37(34,35)31-18-7-5-17(26)6-8-18/h4,9,12-13,17-18,28,31H,5-8,10-11,26H2,1-3H3,(H,27,33)/t17-,18- | Definition date: | 2015-12-15 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | ~{N}-[2-[[3-[3-[(4-azanylcyclohexyl)sulfamoyl]-4-methoxy-phenyl]-6-chloranyl-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide |
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![5W8 5W8](https://data.pdbj.org/pdbjplus/data/cc/svg/5W8.svg) | 5W8 | Name: | ~{N}-[2-[[6-chloranyl-3-[4-methoxy-3-[[(2~{R})-1-oxidanylbutan-2-yl]sulfamoyl]phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide | Formula: | C22 H29 Cl N6 O5 S | SMILES: | CC[CH](CO)N[S](=O)(=O)c1cc(ccc1OC)c2n3nc(Cl)cc(NCCNC(C)=O)c3nc2C | InChi: | InChI=1S/C22H29ClN6O5S/c1-5-16(12-30)28-35(32,33)19-10-15(6-7-18(19)34-4)21-13(2)26-22-17(11-20(23)27-29(21)22)25-9-8-24-14(3)31/h6-7,10-11,16,25,28,30H,5,8-9,12H2,1-4H3,(H,24,31)/t16-/m1/s1 | Definition date: | 2015-12-15 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | ~{N}-[2-[[6-chloranyl-3-[4-methoxy-3-[[(2~{R})-1-oxidanylbutan-2-yl]sulfamoyl]phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide |
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![5W9 5W9](https://data.pdbj.org/pdbjplus/data/cc/svg/5W9.svg) | 5W9 | Name: | ~{N}-[2-[[6-chloranyl-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide | Formula: | C22 H27 Cl N6 O5 S | SMILES: | COc1ccc(cc1[S](=O)(=O)N2CCOCC2)c3n4nc(Cl)cc(NCCNC(C)=O)c4nc3C | InChi: | InChI=1S/C22H27ClN6O5S/c1-14-21(29-22(26-14)17(13-20(23)27-29)25-7-6-24-15(2)30)16-4-5-18(33-3)19(12-16)35(31,32)28-8-10-34-11-9-28/h4-5,12-13,25H,6-11H2,1-3H3,(H,24,30) | Definition date: | 2015-12-15 | Last modified: | 2016-12-22 | Release date: | 2016-12-28 | Identifier: | ~{N}-[2-[[6-chloranyl-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide |
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![XBU XBU](https://data.pdbj.org/pdbjplus/data/cc/svg/XBU.svg) | XBU | Name: | methyl (2~{R})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate | Formula: | C19 H16 O7 | SMILES: | COC(=O)[C]1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)O | InChi: | InChI=1S/C19H16O7/c1-25-18(24)19(10-11-2-6-13(20)7-3-11)15(16(22)17(23)26-19)12-4-8-14(21)9-5-12/h2-9,20-22H,10H2,1H3/t19-/m1/s1 | Definition date: | 2016-07-11 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | methyl (2~{R})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate |
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![LBU LBU](https://data.pdbj.org/pdbjplus/data/cc/svg/LBU.svg) | LBU | Name: | methyl (2S)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate | Formula: | C19 H16 O7 | SMILES: | c1cc(O)ccc1CC2(C(=O)OC)OC(C(=C2c3ccc(cc3)O)O)=O | InChi: | InChI=1S/C19H16O7/c1-25-18(24)19(10-11-2-6-13(20)7-3-11)15(16(22)17(23)26-19)12-4-8-14(21)9-5-12/h2-9,20-22H,10H2,1H3/t19-/m0/s1 | Definition date: | 2016-07-29 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | methyl (2S)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate |
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![KR0 KR0](https://data.pdbj.org/pdbjplus/data/cc/svg/KR0.svg) | KR0 | Name: | 3-decanoyloxypropyl decanoate | Formula: | C23 H44 O4 | SMILES: | CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC | InChi: | InChI=1S/C23H44O4/c1-3-5-7-9-11-13-15-18-22(24)26-20-17-21-27-23(25)19-16-14-12-10-8-6-4-2/h3-21H2,1-2H3 | Definition date: | 2015-12-09 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | 3-decanoyloxypropyl decanoate |
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![78U 78U](https://data.pdbj.org/pdbjplus/data/cc/svg/78U.svg) | 78U | Name: | (betaS)-beta-methyl-L-tryptophan | Formula: | C12 H14 N2 O2 | SMILES: | OC(C(C(C)c2c1c(cccc1)nc2)N)=O | InChi: | InChI=1S/C12H14N2O2/c1-7(11(13)12(15)16)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,14H,13H2,1H3,(H,15,16)/t7-,11-/m0/s1 | Definition date: | 2016-09-12 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | (betaS)-beta-methyl-L-tryptophan |
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![79E 79E](https://data.pdbj.org/pdbjplus/data/cc/svg/79E.svg) | 79E | Name: | JC96 | Formula: | C21 H35 N4 O6 P | SMILES: | CC(C)C[CH](NC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(N)=O | InChi: | InChI=1S/C21H35N4O6P/c1-14(2)10-17(19(22)26)24-20(27)18(11-15(3)4)25-32(29,30)13-23-21(28)31-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H2,22,26)(H,23,28)(H,24,27)(H2,25,29,30)/t17-,18-/m0/s1 | Definition date: | 2016-09-15 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | ~{N}-[(2~{S})-1-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid |
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![7AG 7AG](https://data.pdbj.org/pdbjplus/data/cc/svg/7AG.svg) | 7AG | Name: | ~{N}'-(3-aminocarbonylphenyl)-~{N}-[[1-[(2~{R})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide | Formula: | C24 H28 N6 O3 | SMILES: | C[CH](Cn1cc(CNC(=O)CCCC(=O)Nc2cccc(c2)C(N)=O)nn1)c3ccccc3 | InChi: | InChI=1S/C24H28N6O3/c1-17(18-7-3-2-4-8-18)15-30-16-21(28-29-30)14-26-22(31)11-6-12-23(32)27-20-10-5-9-19(13-20)24(25)33/h2-5,7-10,13,16-17H,6,11-12,14-15H2,1H3,(H2,25,33)(H,26,31)(H,27,32)/t17-/m0/s1 | Definition date: | 2016-09-22 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | ~{N}'-(3-aminocarbonylphenyl)-~{N}-[[1-[(2~{R})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide |
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![7B8 7B8](https://data.pdbj.org/pdbjplus/data/cc/svg/7B8.svg) | 7B8 | Name: | 3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid | Formula: | C24 H27 N7 O7 S | SMILES: | NC(=O)c1cccc(NC(=O)CCC(=O)NCCc2cn(CCN[S](=O)(=O)c3cccc(c3)C(O)=O)nn2)c1 | InChi: | InChI=1S/C24H27N7O7S/c25-23(34)16-3-1-5-18(13-16)28-22(33)8-7-21(32)26-10-9-19-15-31(30-29-19)12-11-27-39(37,38)20-6-2-4-17(14-20)24(35)36/h1-6,13-15,27H,7-12H2,(H2,25,34)(H,26,32)(H,28,33)(H,35,36) | Definition date: | 2016-09-28 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | 3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid |
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![7BJ 7BJ](https://data.pdbj.org/pdbjplus/data/cc/svg/7BJ.svg) | 7BJ | Name: | 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione | Formula: | C16 H19 F N2 O3 | SMILES: | Fc1ccc(OCCN2C(=O)NC3(CCCCC3)C2=O)cc1 | InChi: | InChI=1S/C16H19FN2O3/c17-12-4-6-13(7-5-12)22-11-10-19-14(20)16(18-15(19)21)8-2-1-3-9-16/h4-7H,1-3,8-11H2,(H,18,21) | Definition date: | 2016-09-29 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione |
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![7BK 7BK](https://data.pdbj.org/pdbjplus/data/cc/svg/7BK.svg) | 7BK | Name: | 2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile | Formula: | C20 H19 F N2 O2 | SMILES: | C[C]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c3ccccc3 | InChi: | InChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m0/s1 | Definition date: | 2016-09-29 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | 2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile |
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![7BP 7BP](https://data.pdbj.org/pdbjplus/data/cc/svg/7BP.svg) | 7BP | Name: | 5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile | Formula: | C17 H21 F N2 O2 | SMILES: | CC(C)(C)[CH]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 | InChi: | InChI=1S/C17H21FN2O2/c1-17(2,3)13-9-16(21)20(11-13)6-7-22-14-4-5-15(18)12(8-14)10-19/h4-5,8,13H,6-7,9,11H2,1-3H3/t13-/m1/s1 | Definition date: | 2016-09-29 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | 5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile |
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![7BR 7BR](https://data.pdbj.org/pdbjplus/data/cc/svg/7BR.svg) | 7BR | Name: | 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile | Formula: | C19 H23 F N2 O4 S | SMILES: | CC1(CC[S](=O)(=O)CC1)[CH]2CN(CCOc3ccc(F)c(c3)C#N)C(=O)C2 | InChi: | InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1 | Definition date: | 2016-09-29 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile |
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![7BW 7BW](https://data.pdbj.org/pdbjplus/data/cc/svg/7BW.svg) | 7BW | Name: | 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile | Formula: | C15 H17 F N2 O2 | SMILES: | CC1(C)CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 | InChi: | InChI=1S/C15H17FN2O2/c1-15(2)8-14(19)18(10-15)5-6-20-12-3-4-13(16)11(7-12)9-17/h3-4,7H,5-6,8,10H2,1-2H3 | Definition date: | 2016-09-30 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile |
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