General Property |
Molceule ID (DB) | EGIN0004780 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 13 |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-ethoxyquinazolin-6-yl}-3-(morpholin-4-yl)propanamide |
Formula | C23H25ClFN5O3 |
Mass | 473.928 |
Exact Mass | 473.1629956 |
Composition | C (58.29%), H (5.32%), Cl (7.48%), F (4.01%), N (14.78%), O (10.13%) |
Atom Count | 58 |
PI | 9.55 |
Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OCC)NC(=O)CCN1CCOCC1 |
InChI | 1S/C23H25ClFN5O3/c1-2-33-21-13-19-16(12-20(21)29-22(31)5-6-30-7-9-32-10-8-30)23(27-14-26-19)28-15-3-
4-18(25)17(24)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,29,31)(H,26,27,28) |
InChIKey | WHNBMDXDKOQHCS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004780.png) | Structure Backbone | ![](./frame/f_EGIN0004780.png) |
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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 | 22280453 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 28511386 |
ChEMBL Link | - |