General Property |
Molceule ID (DB) | EGIN0004708 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 21 |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-{2-[(propan-2-yl)amino]ethoxy}quinazolin-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 | 12.87 |
Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCNC(C)C |
InChI | 1S/C20H22ClFN4O2/c1-12(2)23-6-7-28-19-9-14-17(10-18(19)27-3)24-11-25-20(14)26-13-4-5-16(22)15(21)8-1
3/h4-5,8-12,23H,6-7H2,1-3H3,(H,24,25,26) |
InChIKey | SXOWTHDMELDFHL-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 | 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 |
44300029
|
Drug Bank Link | - |
ChemSpider Link | 23150495 |
ChEMBL Link | CHEMBL55794 |