 | | LMV | | Name: | (2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide | | Formula: | C24 H28 Cl2 N2 O4 S | | SMILES: | CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl | | InChi: | InChI=1S/C24H28Cl2N2O4S/c1-15(2)14-33(30,31)27-24(29)17-6-9-22-21(10-17)28(12-16-4-3-5-16)13-23(32-22)19-8-7-18(25)11-20(19)26/h6-11,15-16,23H,3-5,12-14H2,1-2H3,(H,27,29)/t23-/m1/s1 | | Definition date: | 2019-03-04 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | (2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide |
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 | | M0Q | | Name: | ~{N}-methyl-1,6-naphthyridin-4-amine | | Formula: | C9 H9 N3 | | SMILES: | CNc1ccnc2ccncc12 | | InChi: | InChI=1S/C9H9N3/c1-10-8-3-5-12-9-2-4-11-6-7(8)9/h2-6H,1H3,(H,10,12) | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methyl-1,6-naphthyridin-4-amine |
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 | | M0W | | Name: | ~{N}-methylquinazolin-4-amine | | Formula: | C9 H9 N3 | | SMILES: | CNc1ncnc2ccccc12 | | InChi: | InChI=1S/C9H9N3/c1-10-9-7-4-2-3-5-8(7)11-6-12-9/h2-6H,1H3,(H,10,11,12) | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methylquinazolin-4-amine |
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 | | M1E | | Name: | ~{N}-methylthieno[3,2-d]pyrimidin-4-amine | | Formula: | C7 H7 N3 S | | SMILES: | CNc1ncnc2ccsc12 | | InChi: | InChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10) | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methylthieno[3,2-d]pyrimidin-4-amine |
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 | | M1H | | Name: | ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine | | Formula: | C10 H14 N2 | | SMILES: | CNc1ccnc2CCCCc12 | | InChi: | InChI=1S/C10H14N2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,11,12) | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine |
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 | | MVK | | Name: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid | | Formula: | C23 H26 N2 O2 | | SMILES: | Cc1cc(C)c2[nH]ccc2c1CN3CCCC[CH]3c4ccc(cc4)C(O)=O | | InChi: | InChI=1S/C23H26N2O2/c1-15-13-16(2)22-19(10-11-24-22)20(15)14-25-12-4-3-5-21(25)17-6-8-18(9-7-17)23(26)27/h6-11,13,21,24H,3-5,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1 | | Definition date: | 2019-10-25 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid |
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 | | M1Q | | Name: | 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione | | Formula: | C8 H10 N2 O2 | | SMILES: | O=C1NC(=O)[CH]2CCCCC2=N1 | | InChi: | InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12)/t5-/m0/s1 | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione |
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 | | MVQ | | Name: | (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide | | Formula: | C23 H27 N5 O3 S | | SMILES: | CN1C(=O)c2nc(sc2N=C1C3CCOCC3)N4CCC[CH]4C(=O)NCc5ccccc5 | | InChi: | InChI=1S/C23H27N5O3S/c1-27-19(16-9-12-31-13-10-16)26-21-18(22(27)30)25-23(32-21)28-11-5-8-17(28)20(29)24-14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,24,29)/t17-/m1/s1 | | Definition date: | 2019-10-25 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide |
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 | | M1Z | | Name: | 6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione | | Formula: | C8 H11 N3 O2 | | SMILES: | O=C1CC(=NC(=O)N1)N2CCCC2 | | InChi: | InChI=1S/C8H11N3O2/c12-7-5-6(9-8(13)10-7)11-3-1-2-4-11/h1-5H2,(H,10,12,13) | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione |
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 | | MVT | | Name: | 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide | | Formula: | C19 H18 F3 N3 O2 S2 | | SMILES: | CC(C)[CH](Cc1sc(N[S](=O)(=O)c2cc(F)cc(F)c2)nn1)c3cccc(F)c3 | | InChi: | InChI=1S/C19H18F3N3O2S2/c1-11(2)17(12-4-3-5-13(20)6-12)10-18-23-24-19(28-18)25-29(26,27)16-8-14(21)7-15(22)9-16/h3-9,11,17H,10H2,1-2H3,(H,24,25)/t17-/m1/s1 | | Definition date: | 2019-10-25 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide |
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 | | MVW | | Name: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole | | Formula: | C22 H26 N2 | | SMILES: | Cc1cc(C)c2[nH]ccc2c1CN3CCCC[CH]3c4ccccc4 | | InChi: | InChI=1S/C22H26N2/c1-16-14-17(2)22-19(11-12-23-22)20(16)15-24-13-7-6-10-21(24)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,21,23H,6-7,10,13,15H2,1-2H3/t21-/m0/s1 | | Definition date: | 2019-10-25 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole |
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 | | MVZ | | Name: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine | | Formula: | C12 H10 Br Cl N4 | | SMILES: | Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13 | | InChi: | InChI=1S/C12H10BrClN4/c1-6-4-7(13)11(18-12-15-2-3-16-12)9-8(14)5-17-10(6)9/h2-5,17H,1H3,(H2,15,16,18) | | Definition date: | 2019-10-25 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine |
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 | | KXW | | Name: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid | | Formula: | C22 H31 N9 O5 | | SMILES: | N[CH](CCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O | | InChi: | InChI=1S/C22H31N9O5/c23-13(22(34)35)5-9-30(8-3-7-26-15-4-1-2-6-25-15)10-14-17(32)18(33)21(36-14)31-12-29-16-19(24)27-11-28-20(16)31/h1-2,4,6,11-14,17-18,21,32-33H,3,5,7-10,23H2,(H,25,26)(H,34,35)(H2,24,27,28)/t13-,14+,17+,18+,21+/m0/s1 | | Definition date: | 2019-07-04 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid |
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 | | M3E | | Name: | 6-phenyl-1~{H}-pyrimidine-2,4-dione | | Formula: | C10 H8 N2 O2 | | SMILES: | O=C1NC(=O)C=C(N1)c2ccccc2 | | InChi: | InChI=1S/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14) | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 6-phenyl-1~{H}-pyrimidine-2,4-dione |
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 | | M3H | | Name: | 2-phenyl-4,5-dihydro-1~{H}-imidazole | | Formula: | C9 H10 N2 | | SMILES: | C1CN=C(N1)c2ccccc2 | | InChi: | InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 2-phenyl-4,5-dihydro-1~{H}-imidazole |
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 | | M3Z | | Name: | 6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione | | Formula: | C13 H15 N3 O2 | | SMILES: | CN(CC1=NC(=O)NC(=O)C1)Cc2ccccc2 | | InChi: | InChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
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 | | M45 | | Name: | ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine | | Formula: | C6 H11 N5 | | SMILES: | C1CN[CH](C1)Nc2[nH]ncn2 | | InChi: | InChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1 | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine |
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 | | M4B | | Name: | 6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one | | Formula: | C11 H9 N3 O3 | | SMILES: | CC1=C(C(=NC(=O)N1)c2ccccc2)[N+]([O-])=O | | InChi: | InChI=1S/C11H9N3O3/c1-7-10(14(16)17)9(13-11(15)12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one |
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 | | M4E | | Name: | ~{N}-methyl-2~{H}-indazole-3-carboxamide | | Formula: | C9 H9 N3 O | | SMILES: | CNC(=O)c1n[nH]c2ccccc12 | | InChi: | InChI=1S/C9H9N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H,1H3,(H,10,13)(H,11,12) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methyl-1~{H}-indazole-3-carboxamide |
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 | | Q8J | | Name: | 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide | | Formula: | C24 H30 N6 O2 | | SMILES: | C(N1CCN(CC1)C(=O)Nc5cc(c3cn(C2CCOCC2)c4cnccc34)ccn5)C | | InChi: | InChI=1S/C24H30N6O2/c1-2-28-9-11-29(12-10-28)24(31)27-23-15-18(3-8-26-23)21-17-30(19-5-13-32-14-6-19)22-16-25-7-4-20(21)22/h3-4,7-8,15-17,19H,2,5-6,9-14H2,1H3,(H,26,27,31) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide |
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 | | M4K | | Name: | 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione | | Formula: | C15 H17 N3 O2 | | SMILES: | O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3 | | InChi: | InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
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 | | M4N | | Name: | ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide | | Formula: | C11 H11 N3 O | | SMILES: | CNC(=O)c1[nH]nc(c1)c2ccccc2 | | InChi: | InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide |
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 | | M4Q | | Name: | 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione | | Formula: | C11 H13 N3 O2 S | | SMILES: | CN(CC1=NC(=O)NC(=O)C1)Cc2cscc2 | | InChi: | InChI=1S/C11H13N3O2S/c1-14(5-8-2-3-17-7-8)6-9-4-10(15)13-11(16)12-9/h2-3,7H,4-6H2,1H3,(H,13,15,16) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
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 | | M4T | | Name: | ~{N}-pyridin-3-ylethanamide | | Formula: | C7 H8 N2 O | | SMILES: | CC(=O)Nc1cccnc1 | | InChi: | InChI=1S/C7H8N2O/c1-6(10)9-7-3-2-4-8-5-7/h2-5H,1H3,(H,9,10) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-pyridin-3-ylethanamide |
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 | | M58 | | Name: | (~{R})-azanyl(pyridin-3-yl)methanethiol | | Formula: | C6 H8 N2 S | | SMILES: | N[CH](S)c1cccnc1 | | InChi: | InChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2/t6-/m1/s1 | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | (~{R})-azanyl(pyridin-3-yl)methanethiol |
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