General Property |
Molceule ID (DB) | EGIN0001507 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 9a compound |
IUPAC Name | N-[4-(benzyloxy)phenyl]-6-methylquinazolin-4-amine |
Formula | C22H19N3O |
Mass | 341.4058 |
Exact Mass | 341.1528122 |
Composition | C (77.4%), H (5.61%), N (12.31%), O (4.69%) |
Atom Count | 45 |
PI | 10.45 |
Smiles | c12c(ccc(c1)C)ncnc2Nc1ccc(cc1)OCc1ccccc1 |
InChI | 1S/C22H19N3O/c1-16-7-12-21-20(13-16)22(24-15-23-21)25-18-8-10-19(11-9-18)26-14-17-5-3-2-4-6-17/h2-13
,15H,14H2,1H3,(H,23,24,25) |
InChIKey | CWPMTRXNLMRJFY-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 | 14684309 |
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 |
10382694
|
Drug Bank Link | - |
ChemSpider Link | 8558136 |
ChEMBL Link | CHEMBL15202 |