General Property |
Molceule ID (DB) | EGIN0001504 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 4a compound |
IUPAC Name | 4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-ol |
Formula | C21H17N3O2 |
Mass | 343.3786 |
Exact Mass | 343.1320768 |
Composition | C (73.45%), H (4.99%), N (12.24%), O (9.32%) |
Atom Count | 43 |
PI | 6.74 |
Smiles | c12c(ccc(c1)O)ncnc2Nc1ccc(cc1)OCc1ccccc1 |
InChI | 1S/C21H17N3O2/c25-17-8-11-20-19(12-17)21(23-14-22-20)24-16-6-9-18(10-7-16)26-13-15-4-2-1-3-5-15/h1-1
2,14,25H,13H2,(H,22,23,24) |
InChIKey | BURBAFXROHRDAV-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 | 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 |
5329481
|
Drug Bank Link | - |
ChemSpider Link | 4486632 |
ChEMBL Link | CHEMBL14932 |