 | | G92 | | Name: | [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone | | Formula: | C23 H22 F3 N3 O4 | | SMILES: | COc1cc2ncnc(C3CCN(CC3)C(=O)c4ccc(OC(F)(F)F)cc4)c2cc1OC | | InChi: | InChI=1S/C23H22F3N3O4/c1-31-19-11-17-18(12-20(19)32-2)27-13-28-21(17)14-7-9-29(10-8-14)22(30)15-3-5-16(6-4-15)33-23(24,25)26/h3-6,11-14H,7-10H2,1-2H3 | | Definition date: | 2018-09-07 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone |
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 | | G9E | | Name: | [2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone | | Formula: | C22 H21 F3 N4 O3 | | SMILES: | COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(OC(F)(F)F)cc4N | | InChi: | InChI=1S/C22H21F3N4O3/c1-31-14-2-5-17-19(11-14)27-12-28-20(17)13-6-8-29(9-7-13)21(30)16-4-3-15(10-18(16)26)32-22(23,24)25/h2-5,10-13H,6-9,26H2,1H3 | | Definition date: | 2018-09-07 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | [2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone |
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 | | GE8 | | Name: | 2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide | | Formula: | C13 H18 Cl N O2 S | | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCS | | InChi: | InChI=1S/C13H18ClNO2S/c1-13(2,12(16)15-8-3-9-18)17-11-6-4-10(14)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H,15,16) | | Definition date: | 2018-09-13 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | 2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide |
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 | | GEH | | Name: | 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H16 Cl N O2 S | | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCS | | InChi: | InChI=1S/C12H16ClNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15) | | Definition date: | 2018-09-13 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | GF8 | | Name: | 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide | | Formula: | C10 H11 Cl2 N O S | | SMILES: | SCCNC(=O)Cc1ccc(Cl)c(Cl)c1 | | InChi: | InChI=1S/C10H11Cl2NOS/c11-8-2-1-7(5-9(8)12)6-10(14)13-3-4-15/h1-2,5,15H,3-4,6H2,(H,13,14) | | Definition date: | 2018-09-14 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide |
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 | | GKZ | | Name: | 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide | | Formula: | C24 H28 Cl N4 O3 | | SMILES: | Cc1n[nH]c(c2ccc(OCC[NH+]3CCC(CC3)C(N)=O)cc2O)c1c4ccc(Cl)cc4 | | InChi: | InChI=1S/C24H27ClN4O3/c1-15-22(16-2-4-18(25)5-3-16)23(28-27-15)20-7-6-19(14-21(20)30)32-13-12-29-10-8-17(9-11-29)24(26)31/h2-7,14,17,30H,8-13H2,1H3,(H2,26,31)(H,27,28)/p+1 | | Definition date: | 2018-09-28 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide |
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 | | GNK | | Name: | (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one | | Formula: | C15 H18 Cl N O | | SMILES: | Clc1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1 | | InChi: | InChI=1S/C15H18ClNO/c16-12-3-1-11(2-4-12)7-8-17-13-5-6-14(17)10-15(18)9-13/h1-4,13-14H,5-10H2/t13-,14+ | | Definition date: | 2018-09-28 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one |
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 | | GNW | | Name: | 1-[(3-chlorophenyl)methyl]piperazine | | Formula: | C11 H15 Cl N2 | | SMILES: | Clc1cccc(CN2CCNCC2)c1 | | InChi: | InChI=1S/C11H15ClN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2 | | Definition date: | 2018-09-29 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | 1-[(3-chlorophenyl)methyl]piperazine |
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 | | GNZ | | Name: | (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one | | Formula: | C16 H18 F3 N O | | SMILES: | FC(F)(F)c1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1 | | InChi: | InChI=1S/C16H18F3NO/c17-16(18,19)12-3-1-11(2-4-12)7-8-20-13-5-6-14(20)10-15(21)9-13/h1-4,13-14H,5-10H2/t13-,14+ | | Definition date: | 2018-09-29 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one |
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 | | GO2 | | Name: | 1-(1,3-benzothiazol-2-yl)guanidine | | Formula: | C8 H8 N4 S | | SMILES: | NC(=N)Nc1sc2ccccc2n1 | | InChi: | InChI=1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12) | | Definition date: | 2018-09-29 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | 1-(1,3-benzothiazol-2-yl)guanidine |
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 | | GO5 | | Name: | (1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one | | Formula: | C16 H20 Cl N O | | SMILES: | Clc1ccc(CCN2[CH]3CCC[CH]2CC(=O)C3)cc1 | | InChi: | InChI=1S/C16H20ClNO/c17-13-6-4-12(5-7-13)8-9-18-14-2-1-3-15(18)11-16(19)10-14/h4-7,14-15H,1-3,8-11H2/t14-,15+ | | Definition date: | 2018-09-29 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | (1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one |
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 | | GO8 | | Name: | 8-propan-2-ylsulfanyl-7~{H}-purin-6-amine | | Formula: | C8 H11 N5 S | | SMILES: | CC(C)Sc1[nH]c2c(N)ncnc2n1 | | InChi: | InChI=1S/C8H11N5S/c1-4(2)14-8-12-5-6(9)10-3-11-7(5)13-8/h3-4H,1-2H3,(H3,9,10,11,12,13) | | Definition date: | 2018-09-29 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | 8-propan-2-ylsulfanyl-7~{H}-purin-6-amine |
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 | | GOE | | Name: | 1-(6-methylpyridin-2-yl)-3-propyl-urea | | Formula: | C10 H15 N3 O | | SMILES: | CCCNC(=O)Nc1cccc(C)n1 | | InChi: | InChI=1S/C10H15N3O/c1-3-7-11-10(14)13-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H2,11,12,13,14) | | Definition date: | 2018-09-29 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | 1-(6-methylpyridin-2-yl)-3-propyl-urea |
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 | | GON | | Name: | 1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide | | Formula: | C23 H26 N4 O3 | | SMILES: | NC(=O)C1CCN(CCOc2ccc(c(O)c2)c3[nH]ncc3c4ccccc4)CC1 | | InChi: | InChI=1S/C23H26N4O3/c24-23(29)17-8-10-27(11-9-17)12-13-30-18-6-7-19(21(28)14-18)22-20(15-25-26-22)16-4-2-1-3-5-16/h1-7,14-15,17,28H,8-13H2,(H2,24,29)(H,25,26) | | Definition date: | 2018-10-01 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | 1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide |
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 | | MQ0 | | Name: | 4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile | | Formula: | C24 H20 N4 | | SMILES: | N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4 | | InChi: | InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27) | | Definition date: | 1999-07-28 | | Last modified: | 2019-02-18 | | Identifier: | 4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile |
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 | | JR7 | | Name: | N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide | | Formula: | C12 H11 Cl N2 O S | | SMILES: | C(C)C(=O)Nc1scc(n1)c2ccc(Cl)cc2 | | InChi: | InChI=1S/C12H11ClN2OS/c1-2-11(16)15-12-14-10(7-17-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15,16) | | Definition date: | 2018-09-18 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide |
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 | | JRD | | Name: | N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide | | Formula: | C17 H17 N3 O2 S | | SMILES: | O=C(N(c2scc(c1ccccc1)n2)Cc3onc(C)c3)CC | | InChi: | InChI=1S/C17H17N3O2S/c1-3-16(21)20(10-14-9-12(2)19-22-14)17-18-15(11-23-17)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3 | | Definition date: | 2018-09-18 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide |
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 | | JRM | | Name: | methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate | | Formula: | C15 H16 N2 O3 S | | SMILES: | n1c(N(CC(=O)OC)C(CC)=O)scc1c2ccccc2 | | InChi: | InChI=1S/C15H16N2O3S/c1-3-13(18)17(9-14(19)20-2)15-16-12(10-21-15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 | | Definition date: | 2018-09-18 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate |
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 | | GYZ | | Name: | [(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate | | Formula: | C13 H16 N2 O6 | | SMILES: | C[CH]1OC(=NOC(=O)Nc2ccccc2)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C13H16N2O6/c1-7-9(16)10(17)11(18)12(20-7)15-21-13(19)14-8-5-3-2-4-6-8/h2-7,9-11,16-18H,1H3,(H,14,19)/b15-12-/t7-,9+,10+,11-/m0/s1 | | Definition date: | 2018-10-24 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | [(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate |
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 | | XD4 | | Name: | [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate | | Formula: | C18 H25 N O2 | | SMILES: | Cc1cc(ccc1N)C(=O)O[CH]2C[CH]3CC[C]2(C)C3(C)C | | InChi: | InChI=1S/C18H25NO2/c1-11-9-12(5-6-14(11)19)16(20)21-15-10-13-7-8-18(15,4)17(13,2)3/h5-6,9,13,15H,7-8,10,19H2,1-4H3/t13-,15-,18+/m1/s1 | | Definition date: | 2017-08-10 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | [(1~{R},2~{R},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate |
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 | | XD5 | | Name: | [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate | | Formula: | C14 H17 N O2 | | SMILES: | Nc1ccc(cc1)C(=O)O[CH]2C[CH]3CC[CH]2C3 | | InChi: | InChI=1S/C14H17NO2/c15-12-5-3-10(4-6-12)14(16)17-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8,15H2/t9-,11+,13-/m0/s1 | | Definition date: | 2017-08-10 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | [(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate |
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 | | KSD | | Name: | N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine | | Formula: | C26 H29 N O5 | | SMILES: | c3cc(COc1cc(OC)c(c(c1)OC)CNC(C(=O)O)C)c(C)c(c2ccccc2)c3 | | InChi: | InChI=1S/C26H29NO5/c1-17-20(11-8-12-22(17)19-9-6-5-7-10-19)16-32-21-13-24(30-3)23(25(14-21)31-4)15-27-18(2)26(28)29/h5-14,18,27H,15-16H2,1-4H3,(H,28,29)/t18-/m1/s1 | | Definition date: | 2019-01-11 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine |
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 | | KUA | | Name: | {4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone | | Formula: | C22 H21 N3 O4 | | SMILES: | C1N(CCN(C1)C(c4ccc(c3nc2c(cccc2)o3)cc4)=O)C(C5(CC5)O)=O | | InChi: | InChI=1S/C22H21N3O4/c26-20(24-11-13-25(14-12-24)21(27)22(28)9-10-22)16-7-5-15(6-8-16)19-23-17-3-1-2-4-18(17)29-19/h1-8,28H,9-14H2 | | Definition date: | 2019-01-15 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | {4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone |
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 | | KW7 | | Name: | methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate | | Formula: | C12 H11 F N2 O2 | | SMILES: | c2c(c1cnc(C(=O)OC)c1N)c(F)ccc2 | | InChi: | InChI=1S/C12H11FN2O2/c1-17-12(16)11-10(14)8(6-15-11)7-4-2-3-5-9(7)13/h2-6,15H,14H2,1H3 | | Definition date: | 2019-01-18 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate |
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 | | KWA | | Name: | 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine | | Formula: | C12 H11 Cl2 N O | | SMILES: | c2(cc(c1ccc(CNC)o1)cc(c2)Cl)Cl | | InChi: | InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3 | | Definition date: | 2019-01-18 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine |
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