General Property |
Molceule ID (DB) | EGIN0003216 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 20b compound |
IUPAC Name | 8-[(5-methoxy-2-methylphenyl)amino]-3-[2-(morpholin-4-yl)ethyl]-3H-imidazo[4,5-g]quinoline-7-carbonitrile |
Formula | C25H26N6O2 |
Mass | 442.5129 |
Exact Mass | 442.2117241 |
Composition | C (67.86%), H (5.92%), N (18.99%), O (7.23%) |
Atom Count | 59 |
PI | 11.97 |
Smiles | c1(c2c(cc3n(cnc3c2)CCN2CCOCC2)ncc1C#N)Nc1cc(ccc1C)OC |
InChI | 1S/C25H26N6O2/c1-17-3-4-19(32-2)11-21(17)29-25-18(14-26)15-27-22-13-24-23(12-20(22)25)28-16-31(24)6-
5-30-7-9-33-10-8-30/h3-4,11-13,15-16H,5-10H2,1-2H3,(H,27,29) |
InChIKey | QZNNCWRNJVXQIQ-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 |
5330121
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Drug Bank Link | - |
ChemSpider Link | 4487272 |
ChEMBL Link | CHEMBL92729 |