 | | 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 | | Release date: | 2018-12-26 | | 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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 | | 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 | | Release date: | 2018-12-26 | | 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 | | Release date: | 2018-12-26 | | 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 | | Release date: | 2018-12-26 | | 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 | | Release date: | 2018-12-26 | | 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 | | Release date: | 2018-12-26 | | 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 | | Release date: | 2018-12-26 | | 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 | | Release date: | 2018-12-26 | | 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 | | Release date: | 2018-12-26 | | Identifier: | 4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
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 | | 2VN | | Name: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid | | Formula: | C29 H46 N2 O3 S | | SMILES: | O=C(NC1CCCCC1)N(CCc2ccc(SC(C(=O)O)(C)C)cc2)CCCCC3CCCCC3 | | InChi: | InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33) | | Definition date: | 2014-02-26 | | Last modified: | 2018-12-21 | | Release date: | 2018-12-26 | | Identifier: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid |
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 | | 9ZF | | Name: | 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea | | Formula: | C17 H19 F3 N2 O | | SMILES: | C3(NC(Nc1c(F)c(c(F)cc1)F)=O)C2CC4CC(C2)CC3C4 | | InChi: | InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)/t8-,9+,10-,11+,16- | | Definition date: | 2018-09-07 | | Last modified: | 2018-12-21 | | Release date: | 2018-12-26 | | Identifier: | N-[(1R,3S,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-2-yl]-N'-(2,3,4-trifluorophenyl)urea |
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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 | | Release date: | 2018-12-26 | | Identifier: | 5-azanyl-4-oxidanylidene-pentanoic acid |
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 | | K5V | | Name: | 3-aminophenol | | Formula: | C6 H7 N O | | SMILES: | c1(cc(N)ccc1)O | | InChi: | InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2 | | Definition date: | 2018-10-31 | | Last modified: | 2018-12-21 | | Release date: | 2018-12-26 | | Identifier: | 3-aminophenol |
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 | | 90C | | Name: | 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol | | Formula: | C30 H36 N2 O2 | | SMILES: | CC(C)N1CCN(CC1)c2ccc(cc2)C(c3ccc(O)cc3)=C(CCCO)c4ccccc4 | | InChi: | InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+ | | Definition date: | 2017-11-16 | | Last modified: | 2018-12-21 | | Release date: | 2018-12-26 | | Identifier: | 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol |
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 | | J6A | | Name: | (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide | | Formula: | C22 H23 F3 N2 O3 | | SMILES: | C1CCCCC1CC(=O)NC(c2ccc(cc2)c3cc(F)c(F)c(F)c3)C(=O)NO | | InChi: | InChI=1S/C22H23F3N2O3/c23-17-11-16(12-18(24)20(17)25)14-6-8-15(9-7-14)21(22(29)27-30)26-19(28)10-13-4-2-1-3-5-13/h6-9,11-13,21,30H,1-5,10H2,(H,26,28)(H,27,29)/t21-/m1/s1 | | Definition date: | 2018-08-14 | | Last modified: | 2018-12-21 | | Release date: | 2018-12-26 | | Identifier: | (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide |
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 | | J9E | | Name: | 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide | | Formula: | C20 H24 F2 N2 O | | SMILES: | C(=O)(NC2CCC1(CCCCC1)CC2)c4cc3c(cc(cc3n4)F)F | | InChi: | InChI=1S/C20H24F2N2O/c21-13-10-16(22)15-12-18(24-17(15)11-13)19(25)23-14-4-8-20(9-5-14)6-2-1-3-7-20/h10-12,14,24H,1-9H2,(H,23,25) | | Definition date: | 2018-12-05 | | Last modified: | 2018-12-21 | | Release date: | 2018-12-26 | | Identifier: | 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide |
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 | | 960 | | Name: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine | | Formula: | C16 H11 Cl N8 O2 S | | SMILES: | c1(cnn(c1)C)c2cnc3c(c2)n(nc3)S(c5n4nc(Cl)ccc4nc5)(=O)=O | | InChi: | InChI=1S/C16H11ClN8O2S/c1-23-9-11(6-20-23)10-4-13-12(18-5-10)7-21-25(13)28(26,27)16-8-19-15-3-2-14(17)22-24(15)16/h2-9H,1H3 | | Definition date: | 2018-01-04 | | Last modified: | 2018-12-21 | | Release date: | 2018-12-26 | | Identifier: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine |
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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 | | Release date: | 2018-12-26 | | 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 | | Release date: | 2018-12-26 | | 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 | | Release date: | 2018-12-26 |
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 | | NY2 | | Name: | 3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one | | Formula: | C9 H5 Br N6 O3 | | SMILES: | O=[N+](c1c(nnc1)C2=CN3C(N=C2)=C(Br)C(=O)N3)[O-] | | InChi: | InChI=1S/C9H5BrN6O3/c10-6-8-11-1-4(3-15(8)14-9(6)17)7-5(16(18)19)2-12-13-7/h1-3H,(H,12,13)(H,14,17) | | Definition date: | 2018-01-23 | | Last modified: | 2018-12-21 | | Release date: | 2018-12-26 | | Identifier: | 3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one |
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 | | HJG | | Name: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol | | Formula: | C18 H18 Cl N3 O | | SMILES: | c4cc(C3(c2n1cccc(C(C)(C)O)c1nn2)CC3)ccc4Cl | | InChi: | InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | | Definition date: | 2018-07-05 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol |
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 | | G5J | | Name: | 5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine | | Formula: | C11 H18 N5 O14 P3 | | SMILES: | C3(=NC(c2c(n(C1OC(C(O)C1O)COP(O)(=O)OP(O)(=O)OP(=O)(O)OC)cn2)N3)=O)N | | InChi: | InChI=1S/C11H18N5O14P3/c1-26-31(20,21)29-33(24,25)30-32(22,23)27-2-4-6(17)7(18)10(28-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2018-05-07 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine |
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 | | GQ7 | | Name: | [5-(4-aminophenyl)furan-2-yl]methanol | | Formula: | C11 H11 N O2 | | SMILES: | Nc1ccc(cc1)c2oc(CO)cc2 | | InChi: | InChI=1S/C11H11NO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7,12H2 | | Definition date: | 2018-05-31 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | [5-(4-aminophenyl)furan-2-yl]methanol |
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 | | GQA | | Name: | 1-methyl-3-oxidanyl-pyridine-2-thione | | Formula: | C6 H7 N O S | | SMILES: | CN1C=CC=C(O)C1=S | | InChi: | InChI=1S/C6H7NOS/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3 | | Definition date: | 2018-05-31 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 1-methyl-3-oxidanyl-pyridine-2-thione |
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