![OVZ OVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/OVZ.svg) | OVZ | Name: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | Formula: | C25 H40 N6 O7 S | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CNCc3ccccc3)nn2)[CH](O)[CH]1O | InChi: | InChI=1S/C25H40N6O7S/c1-17(2)11-21(26)25(34)29-39(35,36)38-16-22-24(33)23(32)19(15-37-22)9-6-10-31-14-20(28-30-31)13-27-12-18-7-4-3-5-8-18/h3-5,7-8,14,17,19,21-24,27,32-33H,6,9-13,15-16,26H2,1-2H3,(H,29,34)/t19-,21+,22-,23+,24-/m1/s1 | Definition date: | 2020-04-06 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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![OW2 OW2](https://data.pdbj.org/pdbjplus/data/cc/svg/OW2.svg) | OW2 | Name: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | Formula: | C26 H41 N7 O8 S | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CNC(=O)NCc3ccccc3)nn2)[CH](O)[CH]1O | InChi: | InChI=1S/C26H41N7O8S/c1-17(2)11-21(27)25(36)31-42(38,39)41-16-22-24(35)23(34)19(15-40-22)9-6-10-33-14-20(30-32-33)13-29-26(37)28-12-18-7-4-3-5-8-18/h3-5,7-8,14,17,19,21-24,34-35H,6,9-13,15-16,27H2,1-2H3,(H,31,36)(H2,28,29,37)/t19-,21+,22-,23+,24-/m1/s1 | Definition date: | 2020-04-06 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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![OW5 OW5](https://data.pdbj.org/pdbjplus/data/cc/svg/OW5.svg) | OW5 | Name: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | Formula: | C28 H45 N5 O7 S | SMILES: | CCCCCc1ccc(cc1)c2cn(CCC[CH]3CO[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC(C)C)[CH](O)[CH]3O)nn2 | InChi: | InChI=1S/C28H45N5O7S/c1-4-5-6-8-20-10-12-21(13-11-20)24-16-33(32-30-24)14-7-9-22-17-39-25(27(35)26(22)34)18-40-41(37,38)31-28(36)23(29)15-19(2)3/h10-13,16,19,22-23,25-27,34-35H,4-9,14-15,17-18,29H2,1-3H3,(H,31,36)/t22-,23+,25-,26+,27-/m1/s1 | Definition date: | 2020-04-06 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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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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![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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![QJE QJE](https://data.pdbj.org/pdbjplus/data/cc/svg/QJE.svg) | QJE | Name: | 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol | Formula: | C15 H33 N O7 | SMILES: | NCCOCCOCCOCCOCCOCCOCCCO | InChi: | InChI=1S/C15H33NO7/c16-2-5-19-7-9-21-11-13-23-15-14-22-12-10-20-8-6-18-4-1-3-17/h17H,1-16H2 | Definition date: | 2020-06-18 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol |
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![FYL FYL](https://data.pdbj.org/pdbjplus/data/cc/svg/FYL.svg) | FYL | Name: | 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol | Formula: | C21 H24 N4 O5 | SMILES: | C[CH](O)c1nccn1Cc2cc(on2)C#Cc3ccc(OCC(N)(CO)CO)cc3 | InChi: | InChI=1S/C21H24N4O5/c1-15(28)20-23-8-9-25(20)11-17-10-19(30-24-17)7-4-16-2-5-18(6-3-16)29-14-21(22,12-26)13-27/h2-3,5-6,8-10,15,26-28H,11-14,22H2,1H3/t15-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 2-azanyl-2-[[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol |
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![FZ0 FZ0](https://data.pdbj.org/pdbjplus/data/cc/svg/FZ0.svg) | FZ0 | Name: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide | Formula: | C9 H9 F3 N2 O2 | SMILES: | NCC(=O)Nc1cccc(OC(F)(F)F)c1 | InChi: | InChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-2-6(4-7)14-8(15)5-13/h1-4H,5,13H2,(H,14,15) | Definition date: | 2020-07-08 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 2-azanyl-~{N}-[3-(trifluoromethyloxy)phenyl]ethanamide |
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![FZ3 FZ3](https://data.pdbj.org/pdbjplus/data/cc/svg/FZ3.svg) | FZ3 | Name: | 1-[3-(4-chlorophenyl)propyl]imidazole | Formula: | C12 H13 Cl N2 | SMILES: | Clc1ccc(CCCn2ccnc2)cc1 | InChi: | InChI=1S/C12H13ClN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2 | Definition date: | 2020-07-08 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 1-[3-(4-chlorophenyl)propyl]imidazole |
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![FZ6 FZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/FZ6.svg) | FZ6 | Name: | (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide | Formula: | C10 H11 F3 N2 O3 | SMILES: | N[CH](CO)C(=O)Nc1cccc(OC(F)(F)F)c1 | InChi: | InChI=1S/C10H11F3N2O3/c11-10(12,13)18-7-3-1-2-6(4-7)15-9(17)8(14)5-16/h1-4,8,16H,5,14H2,(H,15,17)/t8-/m1/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (2~{R})-2-azanyl-3-oxidanyl-~{N}-[3-(trifluoromethyloxy)phenyl]propanamide |
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![F8U F8U](https://data.pdbj.org/pdbjplus/data/cc/svg/F8U.svg) | F8U | Name: | (2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid | Formula: | C4 H10 O8 S2 | SMILES: | O[CH](C[S](O)(=O)=O)[CH](O)C[S](O)(=O)=O | InChi: | InChI=1S/C4H10O8S2/c5-3(1-13(7,8)9)4(6)2-14(10,11)12/h3-6H,1-2H2,(H,7,8,9)(H,10,11,12)/t3-,4-/m0/s1 | Definition date: | 2020-04-15 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (2~{R},3~{R})-2,3-bis(oxidanyl)butane-1,4-disulfonic acid |
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![FFU FFU](https://data.pdbj.org/pdbjplus/data/cc/svg/FFU.svg) | FFU | Name: | N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide | Formula: | C17 H20 F2 N2 O | SMILES: | CC1(C)CCC(CC1)NC(=O)c2[nH]c3cc(F)cc(F)c3c2 | InChi: | InChI=1S/C17H20F2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22) | Definition date: | 2020-05-11 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | ~{N}-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1~{H}-indole-2-carboxamide |
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![FG0 FG0](https://data.pdbj.org/pdbjplus/data/cc/svg/FG0.svg) | FG0 | Name: | 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] | Formula: | C20 H23 N O3 S | SMILES: | C1COc2cc(CN3CCC4(CC3)OCCc5sccc45)ccc2O1 | InChi: | InChI=1S/C20H23NO3S/c1-2-17-18(23-11-10-22-17)13-15(1)14-21-7-5-20(6-8-21)16-4-12-25-19(16)3-9-24-20/h1-2,4,12-13H,3,5-11,14H2 | Definition date: | 2020-05-11 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] |
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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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![J1L J1L](https://data.pdbj.org/pdbjplus/data/cc/svg/J1L.svg) | J1L | Name: | 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine | Formula: | C27 H36 N12 O9 S | SMILES: | C(O)(C4CC(S(CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O)(=O)=O)CCN4CCNC(C=6C(C)(C)NC=5N=C(NC(C=5N=6)=O)N)=O)=O | InChi: | InChI=1S/C27H36N12O9S/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)49(46,47)8-13-16(40)17(41)24(48-13)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'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine |
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![E9X E9X](https://data.pdbj.org/pdbjplus/data/cc/svg/E9X.svg) | E9X | Name: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine | Formula: | C21 H27 Cl N6 O | SMILES: | CC1(C)N=C(N)N=C(N)N1OCCCN(Cc2ccccc2)c3ccc(Cl)cc3 | InChi: | InChI=1S/C21H27ClN6O/c1-21(2)26-19(23)25-20(24)28(21)29-14-6-13-27(15-16-7-4-3-5-8-16)18-11-9-17(22)10-12-18/h3-5,7-12H,6,13-15H2,1-2H3,(H4,23,24,25,26) | Definition date: | 2019-11-28 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
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![EA0 EA0](https://data.pdbj.org/pdbjplus/data/cc/svg/EA0.svg) | EA0 | Name: | 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide | Formula: | C13 H17 Cl N6 O2 | SMILES: | CC1(C)N=C(N)N=C(N)N1OCC(=O)Nc2ccc(Cl)cc2 | InChi: | InChI=1S/C13H17ClN6O2/c1-13(2)19-11(15)18-12(16)20(13)22-7-10(21)17-9-5-3-8(14)4-6-9/h3-6H,7H2,1-2H3,(H,17,21)(H4,15,16,18,19) | Definition date: | 2019-11-28 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-~{N}-(4-chlorophenyl)ethanamide |
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![EBR EBR](https://data.pdbj.org/pdbjplus/data/cc/svg/EBR.svg) | EBR | Name: | [(4Z)-4-[[(Z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1H-pyridin-3-yl]methyl dihydrogen phosphate | Formula: | C16 H19 N2 O6 P | SMILES: | CC1=C(O)C(=CN=CCc2ccc(O)cc2)C(=CN1)CO[P](O)(O)=O | InChi: | InChI=1S/C16H19N2O6P/c1-11-16(20)15(13(8-18-11)10-24-25(21,22)23)9-17-7-6-12-2-4-14(19)5-3-12/h2-5,7-9,18-20H,6,10H2,1H3,(H2,21,22,23)/b15-9-,17-7- | Definition date: | 2019-12-06 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | [(4~{Z})-4-[[(~{Z})-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1~{H}-pyridin-3-yl]methyl dihydrogen phosphate |
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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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![FXU FXU](https://data.pdbj.org/pdbjplus/data/cc/svg/FXU.svg) | FXU | Name: | (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide | Formula: | C12 H15 F3 N2 O4 S | SMILES: | C[S](=O)(=O)CC[CH](N)C(=O)Nc1cccc(OC(F)(F)F)c1 | InChi: | InChI=1S/C12H15F3N2O4S/c1-22(19,20)6-5-10(16)11(18)17-8-3-2-4-9(7-8)21-12(13,14)15/h2-4,7,10H,5-6,16H2,1H3,(H,17,18)/t10-/m1/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (2~{R})-2-azanyl-4-methylsulfonyl-~{N}-[3-(trifluoromethyloxy)phenyl]butanamide |
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![FXX FXX](https://data.pdbj.org/pdbjplus/data/cc/svg/FXX.svg) | FXX | Name: | (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid | Formula: | C11 H11 F3 N2 O4 | SMILES: | N[CH](CC(O)=O)C(=O)Nc1cccc(OC(F)(F)F)c1 | InChi: | InChI=1S/C11H11F3N2O4/c12-11(13,14)20-7-3-1-2-6(4-7)16-10(19)8(15)5-9(17)18/h1-4,8H,5,15H2,(H,16,19)(H,17,18)/t8-/m1/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (3~{R})-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid |
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![FY6 FY6](https://data.pdbj.org/pdbjplus/data/cc/svg/FY6.svg) | FY6 | Name: | (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol | Formula: | C14 H17 Cl N2 O | SMILES: | C[CH](O)c1nccn1CCCc2ccc(Cl)cc2 | InChi: | InChI=1S/C14H17ClN2O/c1-11(18)14-16-8-10-17(14)9-2-3-12-4-6-13(15)7-5-12/h4-8,10-11,18H,2-3,9H2,1H3/t11-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (1~{S})-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol |
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![FY9 FY9](https://data.pdbj.org/pdbjplus/data/cc/svg/FY9.svg) | FY9 | Name: | (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one | Formula: | C26 H32 N2 O5 S | SMILES: | C[S](=O)(=O)C[CH](O)[CH](N)C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(CO)cc3 | InChi: | InChI=1S/C26H32N2O5S/c1-34(32,33)18-24(30)25(27)26(31)28-14-12-22(13-15-28)16-21-8-4-19(5-9-21)2-3-20-6-10-23(17-29)11-7-20/h4-11,22,24-25,29-30H,12-18,27H2,1H3/t24-,25+/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (2~{R},3~{R})-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one |
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![FYF FYF](https://data.pdbj.org/pdbjplus/data/cc/svg/FYF.svg) | FYF | Name: | (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol | Formula: | C15 H15 N3 O2 | SMILES: | C[CH](O)c1nccn1Cc2cc(on2)c3ccccc3 | InChi: | InChI=1S/C15H15N3O2/c1-11(19)15-16-7-8-18(15)10-13-9-14(20-17-13)12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3/t11-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (1~{S})-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol |
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![21G 21G](https://data.pdbj.org/pdbjplus/data/cc/svg/21G.svg) | 21G | Name: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid | Formula: | C20 H19 F2 N5 O2 | SMILES: | O=C(O)C5C1CCC(CC1)C5Nc2nc(ncc2F)c4c3cc(F)cnc3nc4 | InChi: | InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9-,10+,15-,16-/m0/s1 | Synonyms: | 3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid | Definition date: | 2014-03-03 | Last modified: | 2020-11-26 | Release date: | 2014-07-30 | Identifier: | (1R,2S,3S,4R)-3-{[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino}bicyclo[2.2.2]octane-2-carboxylic acid |
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