 | | JO6 | | Name: | (4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine | | Formula: | C16 H11 Cl3 N4 S | | SMILES: | Clc1cc(Cl)c(C)n2nc(nc12)CCc1nc2cc(Cl)ccc2s1 | | InChi: | InChI=1S/C16H11Cl3N4S/c1-8-10(18)7-11(19)16-21-14(22-23(8)16)4-5-15-20-12-6-9(17)2-3-13(12)24-15/h2-3,6-7H,4-5H2,1H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine |
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 | | JOO | | Name: | 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one | | Formula: | C20 H14 F2 N4 O3 S | | SMILES: | CS(=O)(=O)c1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1F | | InChi: | InChI=1S/C20H14F2N4O3S/c1-30(28,29)15-4-2-3-14(12-15)25-10-8-19(27)20(24-25)17-7-9-23-26(17)18-11-13(21)5-6-16(18)22/h2-12H,1H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one |
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 | | JP0 | | Name: | N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea | | Formula: | C24 H22 N4 O3 | | SMILES: | COc1ccc(cc1)CN(CC1=Nc2ccccc2C(=O)N1)C(=O)Nc1ccccc1 | | InChi: | InChI=1S/C24H22N4O3/c1-31-19-13-11-17(12-14-19)15-28(24(30)25-18-7-3-2-4-8-18)16-22-26-21-10-6-5-9-20(21)23(29)27-22/h2-14H,15-16H2,1H3,(H,25,30)(H,26,27,29) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea |
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 | | JPU | | Name: | (5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine | | Formula: | C22 H26 N2 O4 | | SMILES: | COc1ccc(cc1OC)C1=NN=C(C)C(CC)c2cc(OC)c(cc21)OC | | InChi: | InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine |
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 | | JQC | | Name: | 4-chloro-N-[2-(3,5-dimethylphenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide | | Formula: | C20 H18 Cl N5 O | | SMILES: | O=C(Nc1ccc2[NH]c(nc2c1)c1cc(C)cc(C)c1)c1c(Cl)cnn1C | | InChi: | InChI=1S/C20H18ClN5O/c1-11-6-12(2)8-13(7-11)19-24-16-5-4-14(9-17(16)25-19)23-20(27)18-15(21)10-22-26(18)3/h4-10H,1-3H3,(H,23,27)(H,24,25) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-chloro-N-[2-(3,5-dimethylphenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide |
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 | | JQL | | Name: | 1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | | Formula: | C24 H24 N6 O2 | | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N1CCCC1C | | InChi: | InChI=1S/C24H24N6O2/c1-16-7-6-11-30(16)24(32)19-14-25-28(2)22(19)23(31)26-18-10-12-29-15-20(27-21(29)13-18)17-8-4-3-5-9-17/h3-5,8-10,12-16H,6-7,11H2,1-2H3,(H,26,31) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide |
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 | | JQU | | Name: | N-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide | | Formula: | C18 H14 N4 O S | | SMILES: | O=C(Nc1cc2c(C)nn(c3ccccn3)c2s1)c1ccccc1 | | InChi: | InChI=1S/C18H14N4OS/c1-12-14-11-16(20-17(23)13-7-3-2-4-8-13)24-18(14)22(21-12)15-9-5-6-10-19-15/h2-11H,1H3,(H,20,23) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide |
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 | | JRC | | Name: | 1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | | Formula: | C24 H24 N6 O2 | | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N1CCCC1C | | InChi: | InChI=1S/C24H24N6O2/c1-16-7-6-11-30(16)24(32)19-14-25-28(2)22(19)23(31)26-18-10-12-29-15-20(27-21(29)13-18)17-8-4-3-5-9-17/h3-5,8-10,12-16H,6-7,11H2,1-2H3,(H,26,31)/t16-/m1/s1 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide |
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 | | JRL | | Name: | 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide | | Formula: | C21 H19 N7 O2 | | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1)N1CCC1 | | InChi: | InChI=1S/C21H19N7O2/c1-26-18(15(12-22-26)20(30)27-9-5-10-27)19(29)24-17-8-11-28-13-16(23-21(28)25-17)14-6-3-2-4-7-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,23,24,25,29) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide |
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 | | JRX | | Name: | 2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline | | Formula: | C21 H24 N4 O2 S | | SMILES: | O=S(=O)(c1ccc(C)cc1)N1CCN(CC1)c1nc2ccccc2nc1CC | | InChi: | InChI=1S/C21H24N4O2S/c1-3-18-21(23-20-7-5-4-6-19(20)22-18)24-12-14-25(15-13-24)28(26,27)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline |
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 | | 8GZ | | Name: | D-Prolinol | | Formula: | C5 H11 N O | | SMILES: | OC[CH]1CCCN1 | | InChi: | InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m1/s1 | | Synonyms: | [(2~{R})-pyrrolidin-2-yl]methanol | | Definition date: | 2021-10-13 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | [(2~{R})-pyrrolidin-2-yl]methanol |
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 | | NVR | | Name: | (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione | | Formula: | C23 H21 N3 O5 | | SMILES: | O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1=C(O)C(=O)N2 | | InChi: | InChI=1S/C23H21N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h1-8,13-14,27H,9-12H2,(H,24,28)(H,25,26,29)/b2-1- | | Synonyms: | SJ001034732-1 (Cis-form) | | Definition date: | 2022-04-11 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione |
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 | | D9J | | Name: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol | | Formula: | C24 H19 Cl2 F5 N6 O4 | | SMILES: | Cc1nn(c(n1)[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(Cl)c(F)c4)c5cc(Cl)ccc5C(F)(F)F | | InChi: | InChI=1S/C24H19Cl2F5N6O4/c1-9-32-23(37(34-9)16-6-11(25)2-3-12(16)24(29,30)31)22-21(40)19(20(39)17(8-38)41-22)36-7-15(33-35-36)10-4-13(27)18(26)14(28)5-10/h2-7,17,19-22,38-40H,8H2,1H3/t17-,19+,20+,21-,22-/m1/s1 | | Definition date: | 2022-04-12 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol |
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 | | R3R | | Name: | 9-propanoyl-9H-carbazole-3-carbaldehyde, bound form | | Formula: | C16 H13 N O2 | | SMILES: | CCC(=O)n1c2ccccc2c2cc(C=O)ccc21 | | InChi: | InChI=1S/C16H13NO2/c1-2-16(19)17-14-6-4-3-5-12(14)13-9-11(10-18)7-8-15(13)17/h3-10H,2H2,1H3 | | Definition date: | 2022-06-16 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 9-propanoyl-9H-carbazole-3-carbaldehyde |
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 | | R4F | | Name: | 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form | | Formula: | C13 H13 N O2 | | SMILES: | CC(C)C(=O)n1cc(C=O)c2ccccc21 | | InChi: | InChI=1S/C13H13NO2/c1-9(2)13(16)14-7-10(8-15)11-5-3-4-6-12(11)14/h3-9H,1-2H3 | | Definition date: | 2022-06-16 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde |
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 | | R4R | | Name: | 4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form | | Formula: | C24 H27 N3 O2 | | SMILES: | CN1CCN(CC1)c1ccc(cc1)c1cccc2n(cc(C=O)c21)C(=O)C(C)C | | InChi: | InChI=1S/C24H27N3O2/c1-17(2)24(29)27-15-19(16-28)23-21(5-4-6-22(23)27)18-7-9-20(10-8-18)26-13-11-25(3)12-14-26/h4-10,15-17H,11-14H2,1-3H3 | | Definition date: | 2022-06-16 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde |
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 | | R50 | | Name: | 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form | | Formula: | C22 H25 N3 O | | SMILES: | CC(C)C(=O)n1cc(C)c2c1cncc2c1ccc2CN(C)CCc2c1 | | InChi: | InChI=1S/C22H25N3O/c1-14(2)22(26)25-12-15(3)21-19(10-23-11-20(21)25)17-5-6-18-13-24(4)8-7-16(18)9-17/h5-6,9-12,14H,7-8,13H2,1-4H3 | | Definition date: | 2022-06-16 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]propan-1-one |
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 | | IIR | | Name: | {(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol | | Formula: | C22 H19 N5 O | | SMILES: | Cn1cc(nc1C#Cc1ccc2nc(c(CO)n2n1)C1CC1)c1ccccc1 | | InChi: | InChI=1S/C22H19N5O/c1-26-13-18(15-5-3-2-4-6-15)23-20(26)11-9-17-10-12-21-24-22(16-7-8-16)19(14-28)27(21)25-17/h2-6,10,12-13,16,28H,7-8,14H2,1H3 | | Definition date: | 2022-01-25 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | {(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol |
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 | | IIU | | Name: | 2-chloro-6-ethyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide | | Formula: | C20 H16 Cl N5 O | | SMILES: | CCc1cc(cc(Cl)n1)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1 | | InChi: | InChI=1S/C20H16ClN5O/c1-2-15-10-14(11-17(21)22-15)20(27)23-16-8-9-26-18(12-16)24-19(25-26)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,23,27) | | Definition date: | 2022-01-25 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-chloro-6-ethyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide |
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 | | IIX | | Name: | 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(pyridin-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide | | Formula: | C17 H17 N7 O2 | | SMILES: | O=C(Nc1cc([NH]n1)c1ccccn1)c1c(cnn1C)C(=O)N1CCC1 | | InChi: | InChI=1S/C17H17N7O2/c1-23-15(11(10-19-23)17(26)24-7-4-8-24)16(25)20-14-9-13(21-22-14)12-5-2-3-6-18-12/h2-3,5-6,9-10H,4,7-8H2,1H3,(H2,20,21,22,25) | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(pyridin-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide |
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 | | IJ0 | | Name: | (4S)-2-(difluoromethyl)-3-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine | | Formula: | C20 H15 F2 N5 | | SMILES: | FC(F)c1nc2ccc(nn2c1C)C#Cc1nc(cn1C)c1ccccc1 | | InChi: | InChI=1S/C20H15F2N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14/h3-7,9,11-12,20H,1-2H3 | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-2-(difluoromethyl)-3-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine |
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 | | IJ7 | | Name: | 6-cyclopropyl-N-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | | Formula: | C21 H18 N6 O2 | | SMILES: | O=C(Nc1cc2C(=O)NCc2cc1)c1nc(ccc1Nc1cncnc1)C1CC1 | | InChi: | InChI=1S/C21H18N6O2/c28-20-16-7-14(4-3-13(16)8-24-20)26-21(29)19-18(25-15-9-22-11-23-10-15)6-5-17(27-19)12-1-2-12/h3-7,9-12,25H,1-2,8H2,(H,24,28)(H,26,29) | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 6-cyclopropyl-N-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide |
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 | | IJA | | Name: | 1-methyl-N~5~-[(4S)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(1H-pyrazol-3-yl)methyl]-1H-pyrazole-4,5-dicarboxamide | | Formula: | C22 H19 N9 O2 | | SMILES: | O=C(NCc1cc[NH]n1)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1 | | InChi: | InChI=1S/C22H19N9O2/c1-30-19(16(12-25-30)20(32)23-11-15-7-9-24-29-15)21(33)27-18-8-10-31-13-17(26-22(31)28-18)14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,23,32)(H,24,29)(H,26,27,28,33) | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 1-methyl-N~5~-[(4S)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(1H-pyrazol-3-yl)methyl]-1H-pyrazole-4,5-dicarboxamide |
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 | | IJD | | Name: | 6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | | Formula: | C25 H27 N9 O | | SMILES: | CN(C)CCn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)c1ccccn1 | | InChi: | InChI=1S/C25H27N9O/c1-33(2)11-12-34-23(13-22(32-34)20-5-3-4-10-28-20)31-25(35)24-21(29-18-14-26-16-27-15-18)9-8-19(30-24)17-6-7-17/h3-5,8-10,13-17,29H,6-7,11-12H2,1-2H3,(H,31,35) | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide |
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 | | IJH | | Name: | (4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine | | Formula: | C20 H21 N5 | | SMILES: | Cn1cc(nc1CCc1ccc2nc(C)c(C)n2n1)c1ccccc1 | | InChi: | InChI=1S/C20H21N5/c1-14-15(2)25-20(21-14)12-10-17(23-25)9-11-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,10,12-13H,9,11H2,1-3H3 | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine |
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