| | AY6 | | | Name: | 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide | | Formula: | C22 H21 Cl3 N4 O | | SMILES: | n2(c(c(C)c(C(=O)NN1CCCCC1)n2)c3ccc(cc3)Cl)c4c(Cl)cc(cc4)Cl | | InChi: | InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | | Synonyms: | Rimonabant | | Definition date: | 2018-12-05 | | Last modified: | 2018-12-21 | | Identifier: | 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide |
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| | E4K | | | Name: | 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C29 H29 N O3 | | SMILES: | Cc1ccccc1c2cccc3c(CCCOc4cccc5CCCCc45)c([nH]c23)C(O)=O | | InChi: | InChI=1S/C29H29NO3/c1-19-9-2-4-12-21(19)23-14-7-15-24-25(28(29(31)32)30-27(23)24)16-8-18-33-26-17-6-11-20-10-3-5-13-22(20)26/h2,4,6-7,9,11-12,14-15,17,30H,3,5,8,10,13,16,18H2,1H3,(H,31,32) | | Definition date: | 2018-02-19 | | Last modified: | 2018-12-21 | | Identifier: | 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid |
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| | E4Q | | | Name: | 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid | | Formula: | C34 H35 N5 O3 S | | SMILES: | Cn1nc(CSCc2nn(C)c(C)c2c3cccc4c(CCCOc5cccc6ccccc56)c([nH]c34)C(O)=O)cc1C | | InChi: | InChI=1S/C34H35N5O3S/c1-21-18-24(36-38(21)3)19-43-20-29-31(22(2)39(4)37-29)28-14-8-13-26-27(33(34(40)41)35-32(26)28)15-9-17-42-30-16-7-11-23-10-5-6-12-25(23)30/h5-8,10-14,16,18,35H,9,15,17,19-20H2,1-4H3,(H,40,41) | | Definition date: | 2018-02-19 | | Last modified: | 2018-12-21 | | Identifier: | 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid |
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| | E4W | | | Name: | AZD5991 | | Formula: | C35 H34 Cl N5 O3 S2 | | SMILES: | Cn1nc2CSCc3cc(CSc4cc(OCCCc5c6ccc(Cl)c(c6n(C)c5C(O)=O)c2c1C)c7ccccc7c4)n(C)n3 | | InChi: | InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43) | | Definition date: | 2018-02-19 | | Last modified: | 2018-12-21 |
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| | FVT | | | Name: | 5-azanyl-4-oxidanylidene-pentanoic acid | | Formula: | C5 H9 N O3 | | SMILES: | NCC(=O)CCC(O)=O | | InChi: | InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) | | Definition date: | 2018-08-01 | | Last modified: | 2018-12-21 | | Identifier: | 5-azanyl-4-oxidanylidene-pentanoic acid |
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| | G9Z | | | Name: | agropinic acid | | Formula: | C11 H17 N O8 | | SMILES: | OC[CH](O)[CH](O)[CH](O)[CH](O)CN1[CH](C=CC1=O)C(O)=O | | InChi: | InChI=1S/C11H17NO8/c13-4-7(15)10(18)9(17)6(14)3-12-5(11(19)20)1-2-8(12)16/h1-2,5-7,9-10,13-15,17-18H,3-4H2,(H,19,20)/t5-,6+,7+,9+,10+/m0/s1 | | Definition date: | 2018-09-11 | | Last modified: | 2018-12-21 | | Identifier: | (2~{S})-5-oxidanylidene-1-[(2~{R},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]-2~{H}-pyrrole-2-carboxylic acid |
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| | GFK | | | Name: | 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one | | Formula: | C19 H19 F3 N4 O3 S | | SMILES: | COc1ccc2nc(sc2c1)c3noc(n3)C4CCN(CC4)C(=O)CCC(F)(F)F | | InChi: | InChI=1S/C19H19F3N4O3S/c1-28-12-2-3-13-14(10-12)30-18(23-13)16-24-17(29-25-16)11-5-8-26(9-6-11)15(27)4-7-19(20,21)22/h2-3,10-11H,4-9H2,1H3 | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one |
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| | GFQ | | | Name: | 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide | | Formula: | C19 H23 F3 N2 O S | | SMILES: | CC(C)CCCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F | | InChi: | InChI=1S/C19H23F3N2OS/c1-13(2)4-3-5-17-24-16(12-26-17)14-6-8-15(9-7-14)18(25)23-11-10-19(20,21)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
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| | GFW | | | Name: | ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate | | Formula: | C18 H24 N2 O4 S2 | | SMILES: | CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(C)C | | InChi: | InChI=1S/C18H24N2O4S2/c1-4-24-18(21)11-17-20-16(12-25-17)14-5-7-15(8-6-14)26(22,23)19-10-9-13(2)3/h5-8,12-13,19H,4,9-11H2,1-3H3 | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate |
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| | GFZ | | | Name: | 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide | | Formula: | C29 H30 N2 O3 | | SMILES: | CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5 | | InChi: | InChI=1S/C29H30N2O3/c1-20(2)31-16-14-29(15-17-31)19-26(32)25-18-23(12-13-27(25)34-29)21-8-10-22(11-9-21)28(33)30-24-6-4-3-5-7-24/h3-13,18,20H,14-17,19H2,1-2H3,(H,30,33) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide |
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| | GG8 | | | Name: | ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide | | Formula: | C9 H10 F3 N O2 S | | SMILES: | FC(F)(F)CCN[S](=O)(=O)c1ccccc1 | | InChi: | InChI=1S/C9H10F3NO2S/c10-9(11,12)6-7-13-16(14,15)8-4-2-1-3-5-8/h1-5,13H,6-7H2 | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
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| | GGK | | | Name: | 4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide | | Formula: | C13 H15 F3 N2 O4 S2 | | SMILES: | C[S](=O)(=O)NCC#Cc1ccc(cc1)[S](=O)(=O)NCCC(F)(F)F | | InChi: | InChI=1S/C13H15F3N2O4S2/c1-23(19,20)17-9-2-3-11-4-6-12(7-5-11)24(21,22)18-10-8-13(14,15)16/h4-7,17-18H,8-10H2,1H3 | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
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| | GGN | | | Name: | 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide | | Formula: | C21 H20 F3 N3 O S | | SMILES: | CCCc1cc(ccn1)c2scc(n2)c3ccc(cc3)C(=O)NCCC(F)(F)F | | InChi: | InChI=1S/C21H20F3N3OS/c1-2-3-17-12-16(8-10-25-17)20-27-18(13-29-20)14-4-6-15(7-5-14)19(28)26-11-9-21(22,23)24/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,26,28) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
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| | GH2 | | | Name: | ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate | | Formula: | C17 H17 F3 N2 O3 S | | SMILES: | CCOC(=O)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F | | InChi: | InChI=1S/C17H17F3N2O3S/c1-2-25-15(23)9-14-22-13(10-26-14)11-3-5-12(6-4-11)16(24)21-8-7-17(18,19)20/h3-6,10H,2,7-9H2,1H3,(H,21,24) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate |
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| | GH5 | | | Name: | 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one | | Formula: | C17 H18 F3 N3 O2 | | SMILES: | FC(F)(F)CCC(=O)N1CCC(CC1)c2onc(n2)c3ccccc3 | | InChi: | InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2 | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one |
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| | GH8 | | | Name: | 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide | | Formula: | C30 H32 N2 O3 | | SMILES: | CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5 | | InChi: | InChI=1S/C30H32N2O3/c1-21(2)32-16-14-30(15-17-32)19-27(33)26-18-25(12-13-28(26)35-30)23-8-10-24(11-9-23)29(34)31-20-22-6-4-3-5-7-22/h3-13,18,21H,14-17,19-20H2,1-2H3,(H,31,34) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide |
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| | GHB | | | Name: | 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide | | Formula: | C16 H19 F3 N4 O | | SMILES: | CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F | | InChi: | InChI=1S/C16H19F3N4O/c1-11(2)9-13-10-23(22-21-13)14-5-3-12(4-6-14)15(24)20-8-7-16(17,18)19/h3-6,10-11H,7-9H2,1-2H3,(H,20,24) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
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| | GHK | | | Name: | 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide | | Formula: | C15 H14 N2 O4 S2 | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2 | | InChi: | InChI=1S/C15H14N2O4S2/c16-22(18,19)14-10-8-13(9-11-14)5-4-12-17-23(20,21)15-6-2-1-3-7-15/h1-3,6-11,17H,12H2,(H2,16,18,19) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide |
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| | GHN | | | Name: | ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate | | Formula: | C16 H17 F3 N2 O4 S2 | | SMILES: | CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F | | InChi: | InChI=1S/C16H17F3N2O4S2/c1-2-25-15(22)9-14-21-13(10-26-14)11-3-5-12(6-4-11)27(23,24)20-8-7-16(17,18)19/h3-6,10,20H,2,7-9H2,1H3 | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate |
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| | GHQ | | | Name: | ~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide | | Formula: | C10 H10 F3 N O | | SMILES: | FC(F)(F)CCNC(=O)c1ccccc1 | | InChi: | InChI=1S/C10H10F3NO/c11-10(12,13)6-7-14-9(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | ~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
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| | GJ2 | | | Name: | 4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide | | Formula: | C18 H17 F3 N2 O4 S2 | | SMILES: | FC(F)(F)CCN[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2 | | InChi: | InChI=1S/C18H17F3N2O4S2/c19-18(20,21)12-14-23-29(26,27)17-10-8-15(9-11-17)5-4-13-22-28(24,25)16-6-2-1-3-7-16/h1-3,6-11,22-23H,12-14H2 | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
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| | GJ5 | | | Name: | 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide | | Formula: | C17 H19 F3 N2 O S | | SMILES: | CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F | | InChi: | InChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
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| | GJ8 | | | Name: | 4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide | | Formula: | C20 H18 F3 N3 O3 S2 | | SMILES: | FC(F)(F)CCNC(=O)c1ccc(cc1)c2csc(CN[S](=O)(=O)c3ccccc3)n2 | | InChi: | InChI=1S/C20H18F3N3O3S2/c21-20(22,23)10-11-24-19(27)15-8-6-14(7-9-15)17-13-30-18(26-17)12-25-31(28,29)16-4-2-1-3-5-16/h1-9,13,25H,10-12H2,(H,24,27) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
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| | GJE | | | Name: | 4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide | | Formula: | C10 H9 F3 N4 O | | SMILES: | FC(F)(F)CCNC(=O)c1ccc(cc1)N=[N+]=[N-] | | InChi: | InChI=1S/C10H9F3N4O/c11-10(12,13)5-6-15-9(18)7-1-3-8(4-2-7)16-17-14/h1-4H,5-6H2,(H,15,18) | | Definition date: | 2018-09-17 | | Last modified: | 2018-12-21 | | Identifier: | 4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
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| | GXE | | | Name: | benzeneselenol | | Formula: | C6 H6 Se | | SMILES: | [SeH]c1ccccc1 | | InChi: | InChI=1S/C6H6Se/c7-6-4-2-1-3-5-6/h1-5,7H | | Definition date: | 2018-10-15 | | Last modified: | 2018-12-21 | | Identifier: | benzeneselenol |
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