 | | S5G | | Name: | (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione | | Formula: | C6 H12 N2 O S2 | | SMILES: | CN1C(=S)S[CH](NO)C1(C)C | | InChi: | InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1 | | Definition date: | 2020-03-04 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione |
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 | | S5J | | Name: | 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile | | Formula: | C13 H17 N3 O | | SMILES: | COc1ccccc1N2CCN(CC2)CC#N | | InChi: | InChI=1S/C13H17N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,7-11H2,1H3 | | Definition date: | 2020-03-04 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile |
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 | | S7A | | Name: | 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one | | Formula: | C7 H11 F3 N2 O | | SMILES: | FC(F)(F)CC(=O)N1CCNCC1 | | InChi: | InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2 | | Definition date: | 2020-03-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one |
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 | | S7G | | Name: | ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide | | Formula: | C11 H14 N2 O | | SMILES: | CC(=O)N[CH]1CNc2ccccc2C1 | | InChi: | InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1 | | Definition date: | 2020-03-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide |
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 | | S7J | | Name: | 2-(trifluoromethyl)pyrimidine-5-carboxamide | | Formula: | C6 H4 F3 N3 O | | SMILES: | NC(=O)c1cnc(nc1)C(F)(F)F | | InChi: | InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13) | | Definition date: | 2020-03-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 2-(trifluoromethyl)pyrimidine-5-carboxamide |
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 | | S7S | | Name: | ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide | | Formula: | C7 H13 N5 O | | SMILES: | CCCC(=O)Nc1nnn(CC)n1 | | InChi: | InChI=1S/C7H13N5O/c1-3-5-6(13)8-7-9-11-12(4-2)10-7/h3-5H2,1-2H3,(H,8,10,13) | | Definition date: | 2020-03-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide |
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 | | S8D | | Name: | 2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide | | Formula: | C10 H20 N2 O2 | | SMILES: | CCNC(=O)CN1C[CH](C)OC[CH]1C | | InChi: | InChI=1S/C10H20N2O2/c1-4-11-10(13)6-12-5-9(3)14-7-8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)/t8-,9+/m0/s1 | | Definition date: | 2020-03-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide |
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 | | S8G | | Name: | 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one | | Formula: | C9 H15 F3 N2 O | | SMILES: | N[CH]1CCCN(C1)C(=O)CCC(F)(F)F | | InChi: | InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1 | | Definition date: | 2020-03-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one |
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 | | S8J | | Name: | 3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide | | Formula: | C11 H13 N5 O2 | | SMILES: | CCOc1cccc(c1)C(=O)Nc2nnn(C)n2 | | InChi: | InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17) | | Definition date: | 2020-03-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide |
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 | | SNQ | | Name: | 5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile | | Formula: | C11 H9 N3 | | SMILES: | Nc1ccc(n2cccc2)c(c1)C#N | | InChi: | InChI=1S/C11H9N3/c12-8-9-7-10(13)3-4-11(9)14-5-1-2-6-14/h1-7H,13H2 | | Definition date: | 2011-07-11 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile |
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 | | S8P | | Name: | 5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide | | Formula: | C10 H14 N2 O2 S | | SMILES: | Cc1snc(c1)C(=O)NC[CH]2CCCO2 | | InChi: | InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m0/s1 | | Definition date: | 2020-03-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide |
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 | | S8V | | Name: | ~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine | | Formula: | C8 H15 N O | | SMILES: | C1C[CH](CNC2CC2)CO1 | | InChi: | InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2/t7-/m0/s1 | | Definition date: | 2020-03-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | ~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine |
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 | | S9D | | Name: | 2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine | | Formula: | C13 H14 N4 O | | SMILES: | C1C[CH](NN1)c2ccc(Oc3ncccn3)cc2 | | InChi: | InChI=1S/C13H14N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-5,7-8,12,16-17H,6,9H2/t12-/m0/s1 | | Definition date: | 2020-03-06 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine |
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 | | S9G | | Name: | cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone | | Formula: | C13 H20 N2 O3 | | SMILES: | O=C(C1CC1)N2CCN(CC2)C(=O)[CH]3CCCO3 | | InChi: | InChI=1S/C13H20N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h10-11H,1-9H2/t11-/m0/s1 | | Definition date: | 2020-03-06 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone |
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 | | R2H | | Name: | 3-fluoro dicyclotyrosine | | Formula: | C18 H17 F N2 O4 | | SMILES: | Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(F)c3)NC2=O)cc1 | | InChi: | InChI=1S/C18H17FN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1 | | Definition date: | 2019-05-15 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | (3~{S},6~{S})-3-[(3-fluoranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione |
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 | | S9M | | Name: | 2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol | | Formula: | C9 H10 F2 N2 O | | SMILES: | C2(c1c(O)c(cc(c1)F)F)NNCC2 | | InChi: | InChI=1S/C9H10F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h3-4,8,12-14H,1-2H2 | | Definition date: | 2020-03-06 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol |
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 | | S9P | | Name: | 2-methyl-1,3-benzoxazol-6-ol | | Formula: | C8 H7 N O2 | | SMILES: | Cc1oc2cc(O)ccc2n1 | | InChi: | InChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3 | | Definition date: | 2020-03-06 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 2-methyl-1,3-benzoxazol-6-ol |
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 | | S9V | | Name: | 1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea | | Formula: | C11 H15 Cl N2 O2 | | SMILES: | CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1 | | InChi: | InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16) | | Definition date: | 2020-03-06 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea |
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 | | QP4 | | Name: | 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine | | Formula: | C26 H23 F N4 O | | SMILES: | c5(CCCOC)nc(c3c2CC(c1ccccc1)=Nc2ncc3)c(c4ccc(cc4)F)n5 | | InChi: | InChI=1S/C26H23FN4O/c1-32-15-5-8-23-30-24(18-9-11-19(27)12-10-18)25(31-23)20-13-14-28-26-21(20)16-22(29-26)17-6-3-2-4-7-17/h2-4,6-7,9-14H,5,8,15-16H2,1H3,(H,30,31) | | Definition date: | 2019-12-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine |
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 | | QP7 | | Name: | 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol | | Formula: | C25 H21 F N4 O | | SMILES: | c5(nc(c1ccc(cc1)F)c(c4c2c(nc(c2)c3ccccc3)ncc4)n5)CCCO | | InChi: | InChI=1S/C25H21FN4O/c26-18-10-8-17(9-11-18)23-24(30-22(29-23)7-4-14-31)19-12-13-27-25-20(19)15-21(28-25)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,31H,4,7,14H2,(H,27,28)(H,29,30) | | Definition date: | 2019-12-05 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol |
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 | | RYP | | Name: | ~{N}-methyl-1-pyridin-4-yl-methanamine | | Formula: | C7 H10 N2 | | SMILES: | CNCc1ccncc1 | | InChi: | InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3 | | Definition date: | 2020-03-02 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | ~{N}-methyl-1-pyridin-4-yl-methanamine |
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 | | RL7 | | Name: | N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide | | Formula: | C17 H16 F4 N2 O | | SMILES: | C(c1c(cc(cc1)C(F)(F)F)F)c3c(c(C(=O)NC2CC2)nc3)C | | InChi: | InChI=1S/C17H16F4N2O/c1-9-11(8-22-15(9)16(24)23-13-4-5-13)6-10-2-3-12(7-14(10)18)17(19,20)21/h2-3,7-8,13,22H,4-6H2,1H3,(H,23,24) | | Definition date: | 2020-02-14 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide |
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 | | RLA | | Name: | ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate | | Formula: | C17 H18 F3 N O2 | | SMILES: | c1(ccc(cc1)Cc2c(nc(C(OCC)=O)c2C)C)C(F)(F)F | | InChi: | InChI=1S/C17H18F3NO2/c1-4-23-16(22)15-10(2)14(11(3)21-15)9-12-5-7-13(8-6-12)17(18,19)20/h5-8,21H,4,9H2,1-3H3 | | Definition date: | 2020-02-14 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate |
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 | | T91 | | Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide | | Formula: | C14 H19 N3 O | | SMILES: | n1c(CCNC(C(C)(C)C)=O)nc2c1cccc2 | | InChi: | InChI=1S/C14H19N3O/c1-14(2,3)13(18)15-9-8-12-16-10-6-4-5-7-11(10)17-12/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17) | | Definition date: | 2020-03-16 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide |
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 | | C9R | | Name: | ~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide | | Formula: | C25 H17 F2 N7 O3 S | | SMILES: | COc1n[nH]c2ncc(cc12)c3cn(nn3)c4c(F)ccc(N[S](=O)(=O)c5cccc6ccccc56)c4F | | InChi: | InChI=1S/C25H17F2N7O3S/c1-37-25-17-11-15(12-28-24(17)30-31-25)20-13-34(33-29-20)23-18(26)9-10-19(22(23)27)32-38(35,36)21-8-4-6-14-5-2-3-7-16(14)21/h2-13,32H,1H3,(H,28,30,31) | | Definition date: | 2019-04-22 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | ~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide |
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