 | | K0N | | Name: | (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide | | Formula: | C17 H18 N4 O3 S | | SMILES: | COc1cc(ccc1O)C=C(C#N)C(=O)Nc2sc(nn2)C(C)(C)C | | InChi: | InChI=1S/C17H18N4O3S/c1-17(2,3)15-20-21-16(25-15)19-14(23)11(9-18)7-10-5-6-12(22)13(8-10)24-4/h5-8,22H,1-4H3,(H,19,21,23)/b11-7+ | | Definition date: | 2019-04-11 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide |
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 | | K0Z | | Name: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide | | Formula: | C13 H9 Br N4 O3 S | | SMILES: | COc1cc(ccc1O)C=C(C#N)C(=O)Nc2sc(Br)nn2 | | InChi: | InChI=1S/C13H9BrN4O3S/c1-21-10-5-7(2-3-9(10)19)4-8(6-15)11(20)16-13-18-17-12(14)22-13/h2-5,19H,1H3,(H,16,18,20)/b8-4+ | | Definition date: | 2019-04-14 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide |
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 | | K1B | | Name: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide | | Formula: | C12 H6 Br N5 O4 S | | SMILES: | Oc1ccc(C=C(C#N)C(=O)Nc2sc(Br)nn2)cc1[N+]([O-])=O | | InChi: | InChI=1S/C12H6BrN5O4S/c13-11-16-17-12(23-11)15-10(20)7(5-14)3-6-1-2-9(19)8(4-6)18(21)22/h1-4,19H,(H,15,17,20)/b7-3+ | | Definition date: | 2019-04-15 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide |
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 | | O6W | | Name: | 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide | | Formula: | C13 H13 F3 N2 O2 S | | SMILES: | FC(F)(F)CCC[S](=O)(=O)Nc1ccc2cnccc2c1 | | InChi: | InChI=1S/C13H13F3N2O2S/c14-13(15,16)5-1-7-21(19,20)18-12-3-2-11-9-17-6-4-10(11)8-12/h2-4,6,8-9,18H,1,5,7H2 | | Definition date: | 2020-02-17 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide |
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 | | O6Z | | Name: | ~{N}-(1~{H}-indazol-5-yl)butane-1-sulfonamide | | Formula: | C11 H15 N3 O2 S | | SMILES: | CCCC[S](=O)(=O)Nc1ccc2[nH]ncc2c1 | | InChi: | InChI=1S/C11H15N3O2S/c1-2-3-6-17(15,16)14-10-4-5-11-9(7-10)8-12-13-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,12,13) | | Definition date: | 2020-02-17 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | ~{N}-(1~{H}-indazol-5-yl)butane-1-sulfonamide |
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 | | EVC | | Name: | N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide | | Formula: | C28 H39 N9 O4 S | | SMILES: | CCN[S](=O)(=O)c1ccccc1Nc2ncnc(Nc3ccc(N4CCN(C)CC4)c(OCCN5CCOCC5)c3)n2 | | InChi: | InChI=1S/C28H39N9O4S/c1-3-31-42(38,39)26-7-5-4-6-23(26)33-28-30-21-29-27(34-28)32-22-8-9-24(37-12-10-35(2)11-13-37)25(20-22)41-19-16-36-14-17-40-18-15-36/h4-9,20-21,31H,3,10-19H2,1-2H3,(H2,29,30,32,33,34) | | Definition date: | 2020-02-05 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | ~{N}-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide |
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 | | EVL | | Name: | N-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide | | Formula: | C28 H39 N9 O3 S | | SMILES: | CCN[S](=O)(=O)c1ccccc1Nc2ncnc(Nc3ccc(N4CCC(CC4)N5CCN(C)CC5)c(OC)c3)n2 | | InChi: | InChI=1S/C28H39N9O3S/c1-4-31-41(38,39)26-8-6-5-7-23(26)33-28-30-20-29-27(34-28)32-21-9-10-24(25(19-21)40-3)37-13-11-22(12-14-37)36-17-15-35(2)16-18-36/h5-10,19-20,22,31H,4,11-18H2,1-3H3,(H2,29,30,32,33,34) | | Definition date: | 2020-02-05 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | ~{N}-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide |
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 | | EVR | | Name: | 2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-N-ethyl-benzenesulfonamide | | Formula: | C39 H52 N8 O5 S | | SMILES: | CCN[S](=O)(=O)c1ccccc1Nc2nc(Nc3ccc(N4CCC(CC4)N5CCN(C)CC5)c(OC)c3)ncc2CCc6cc(OC)cc(OC)c6 | | InChi: | InChI=1S/C39H52N8O5S/c1-6-41-53(48,49)37-10-8-7-9-34(37)43-38-29(12-11-28-23-32(50-3)26-33(24-28)51-4)27-40-39(44-38)42-30-13-14-35(36(25-30)52-5)47-17-15-31(16-18-47)46-21-19-45(2)20-22-46/h7-10,13-14,23-27,31,41H,6,11-12,15-22H2,1-5H3,(H2,40,42,43,44) | | Definition date: | 2020-02-05 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | 2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-ethyl-benzenesulfonamide |
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 | | OKZ | | Name: | 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide | | Formula: | C13 H14 N2 O4 S | | SMILES: | CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O | | InChi: | InChI=1S/C13H14N2O4S/c1-2-9-14-20(18,19)11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3 | | Definition date: | 2020-03-19 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide |
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 | | OL8 | | Name: | ~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide | | Formula: | C15 H10 N2 O4 | | SMILES: | O=C(Nc1cccc(c1)N2C(=O)C=CC2=O)c3occc3 | | InChi: | InChI=1S/C15H10N2O4/c18-13-6-7-14(19)17(13)11-4-1-3-10(9-11)16-15(20)12-5-2-8-21-12/h1-9H,(H,16,20) | | Definition date: | 2020-03-19 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | ~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide |
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 | | S3O | | Name: | N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | | Formula: | C18 H21 N3 O | | SMILES: | C2CNc1cc(NC(=O)C)nc(c1C2)c3cccc(c3C)C | | InChi: | InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22) | | Definition date: | 2019-10-25 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide |
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 | | RU4 | | Name: | 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate | | Formula: | C11 H11 N3 O2 S | | SMILES: | N(C(Oc1ccc(cc1)c2nnsc2)=O)CC | | InChi: | InChI=1S/C11H11N3O2S/c1-2-12-11(15)16-9-5-3-8(4-6-9)10-7-17-14-13-10/h3-7H,2H2,1H3,(H,12,15) | | Definition date: | 2020-02-25 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate |
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 | | RUV | | Name: | 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide | | Formula: | C11 H11 N5 O2 | | SMILES: | N(C(C)=O)c1ccc(cc1)C(=O)Nn2cnnc2 | | InChi: | InChI=1S/C11H11N5O2/c1-8(17)14-10-4-2-9(3-5-10)11(18)15-16-6-12-13-7-16/h2-7H,1H3,(H,14,17)(H,15,18) | | Definition date: | 2020-02-25 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide |
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 | | RUY | | Name: | 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine | | Formula: | C7 H12 N4 O | | SMILES: | N2(c1nonc1N)CCCCC2 | | InChi: | InChI=1S/C7H12N4O/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2,(H2,8,9) | | Definition date: | 2020-02-25 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine |
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 | | QRY | | Name: | 4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide | | Formula: | C24 H23 N3 O3 S | | SMILES: | c1(ccc(S(N)(=O)=O)cc1)CCNC(c2ccccc2)C(c4cnc3ccccc34)=O | | InChi: | InChI=1S/C24H23N3O3S/c25-31(29,30)19-12-10-17(11-13-19)14-15-26-23(18-6-2-1-3-7-18)24(28)21-16-27-22-9-5-4-8-20(21)22/h1-13,16,23,26-27H,14-15H2,(H2,25,29,30)/t23-/m1/s1 | | Definition date: | 2019-12-13 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide |
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 | | QS1 | | Name: | (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide | | Formula: | C27 H26 N6 O | | SMILES: | c1cc(C#N)ccc1C(CNC(c2ccccc2)C(Nc3ccc(cn3)c4cn(nc4)C)=O)C | | InChi: | InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1 | | Definition date: | 2019-12-13 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide |
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 | | QS4 | | Name: | 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one | | Formula: | C17 H22 N2 O | | SMILES: | C1CC(N(CC1)CC(c2c(C)nc3ccccc23)=O)C | | InChi: | InChI=1S/C17H22N2O/c1-12-7-5-6-10-19(12)11-16(20)17-13(2)18-15-9-4-3-8-14(15)17/h3-4,8-9,12,18H,5-7,10-11H2,1-2H3/t12-/m1/s1 | | Definition date: | 2019-12-13 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one |
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 | | QSD | | Name: | (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide | | Formula: | C26 H24 N6 O | | SMILES: | Cn1ncc(c1)c2cnc(cc2)NC(=O)C(c3ccccc3)NCCc4ccc(C#N)cc4 | | InChi: | InChI=1S/C26H24N6O/c1-32-18-23(17-30-32)22-11-12-24(29-16-22)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-20(15-27)10-8-19/h2-12,16-18,25,28H,13-14H2,1H3,(H,29,31,33)/t25-/m1/s1 | | Definition date: | 2019-12-16 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide |
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 | | DKU | | Name: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one | | Formula: | C25 H20 N2 O2 | | SMILES: | Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5 | | InChi: | InChI=1S/C25H20N2O2/c1-17-11-13-22-21(15-17)26-24(27(22)19-7-3-2-4-8-19)14-12-18-16-29-23-10-6-5-9-20(23)25(18)28/h2-11,13,15-16H,12,14H2,1H3 | | Definition date: | 2019-08-09 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one |
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 | | DL0 | | Name: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one | | Formula: | C25 H19 Cl N2 O2 | | SMILES: | Cc1ccc2n(c(CCC3=COc4ccc(Cl)cc4C3=O)nc2c1)c5ccccc5 | | InChi: | InChI=1S/C25H19ClN2O2/c1-16-7-10-22-21(13-16)27-24(28(22)19-5-3-2-4-6-19)12-8-17-15-30-23-11-9-18(26)14-20(23)25(17)29/h2-7,9-11,13-15H,8,12H2,1H3 | | Definition date: | 2019-08-09 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one |
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 | | DU9 | | Name: | 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one | | Formula: | C27 H35 F N6 O3 | | SMILES: | C[CH]1CN(C[CH](C)O1)c2cc(F)c3c(c2)N(C)C(=O)C34CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5 | | InChi: | InChI=1S/C27H35FN6O3/c1-16-14-34(15-17(2)37-16)18-12-20(28)22-21(13-18)32(4)25(36)27(22)7-10-33(11-8-27)26-29-23-19(24(35)30-26)6-5-9-31(23)3/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,29,30,35)/t16-,17+ | | Definition date: | 2019-08-28 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 6-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one |
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 | | 8JF | | Name: | N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | | Formula: | C18 H17 N3 O | | SMILES: | c2cnc1cc(NC(=O)C)nc(c1c2)c3c(C)c(C)ccc3 | | InChi: | InChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22) | | Definition date: | 2019-10-25 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide |
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 | | 8XY | | Name: | 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide | | Formula: | C17 H11 Br N2 O S | | SMILES: | c4c3cc(C(Nc1cccc2nccc12)=O)sc3cc(Br)c4 | | InChi: | InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21) | | Definition date: | 2017-03-18 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide |
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 | | JFX | | Name: | 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide | | Formula: | C12 H16 F N3 O2 S | | SMILES: | Cc2c1c(ccc(c1)NS(CCCCF)(=O)=O)nn2 | | InChi: | InChI=1S/C12H16FN3O2S/c1-9-11-8-10(4-5-12(11)15-14-9)16-19(17,18)7-3-2-6-13/h4-5,8,16H,2-3,6-7H2,1H3,(H,14,15) | | Definition date: | 2019-06-12 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide |
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 | | C7 | | Name: | N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide | | Formula: | C17 H15 F3 N2 O3 | | SMILES: | O=C(NO)CCc1c(cccc1)NC(c2cc(ccc2)C(F)(F)F)=O | | InChi: | InChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-3-5-12(10-13)16(24)21-14-7-2-1-4-11(14)8-9-15(23)22-25/h1-7,10,25H,8-9H2,(H,21,24)(H,22,23) | | Definition date: | 2019-03-27 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide |
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