General Property |
Molceule ID (DB) | EGIN0004678 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 27 |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine |
Formula | C20H22ClFN4O2 |
Mass | 404.866 |
Exact Mass | 404.1415319 |
Composition | C (59.33%), H (5.48%), Cl (8.76%), F (4.69%), N (13.84%), O (7.9%) |
Atom Count | 50 |
PI | 12.67 |
Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCCN(C)C |
InChI | 1S/C20H22ClFN4O2/c1-26(2)7-4-8-28-19-10-14-17(11-18(19)27-3)23-12-24-20(14)25-13-5-6-16(22)15(21)9-1
3/h5-6,9-12H,4,7-8H2,1-3H3,(H,23,24,25) |
InChIKey | BQTOLZHBHCEHJX-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004678.png) | Structure Backbone | ![](./frame/f_EGIN0004678.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 | 11459659 |
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 |
19077498
|
Drug Bank Link | - |
ChemSpider Link | 13940729 |
ChEMBL Link | CHEMBL57990 |