General Property |
Molceule ID (DB) | EGIN0003213 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 14b compound |
IUPAC Name | 8-[(5-methoxy-2-methylphenyl)amino]-2-{[2-(morpholin-4-yl)ethyl]amino}-3H-imidazo[4,5-g]quinoline-7-carbonitrile |
Formula | C25H27N7O2 |
Mass | 457.5276 |
Exact Mass | 457.2226231 |
Composition | C (65.63%), H (5.95%), N (21.43%), O (6.99%) |
Atom Count | 61 |
PI | 9.5 |
Smiles | n1c([nH]c2c1cc1c(Nc3cc(ccc3C)OC)c(C#N)cnc1c2)NCCN1CCOCC1 |
InChI | 1S/C25H27N7O2/c1-16-3-4-18(33-2)11-20(16)29-24-17(14-26)15-28-21-13-23-22(12-19(21)24)30-25(31-23)27
-5-6-32-7-9-34-10-8-32/h3-4,11-13,15H,5-10H2,1-2H3,(H,28,29)(H2,27,30,31) |
InChIKey | WPYJUTQUGYKHKX-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 12217371 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Src | |
Pub Chem Link |
5330118
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Drug Bank Link | - |
ChemSpider Link | 4487269 |
ChEMBL Link | CHEMBL329244 |