General Property |
Molceule ID (DB) | EGIN0004953 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 31b |
IUPAC Name | 2-chloro-6,7-dimethoxy-N-(4-methylphenyl)quinazolin-4-amine |
Formula | C17H16ClN3O2 |
Mass | 329.781 |
Exact Mass | 329.0931045 |
Composition | C (61.91%), H (4.89%), Cl (10.75%), N (12.74%), O (9.7%) |
Atom Count | 39 |
PI | 9.18 |
Smiles | c12cc(c(cc1nc(nc2Nc1ccc(cc1)C)Cl)OC)OC |
InChI | 1S/C17H16ClN3O2/c1-10-4-6-11(7-5-10)19-16-12-8-14(22-2)15(23-3)9-13(12)20-17(18)21-16/h4-9H,1-3H3,(H
,19,20,21) |
InChIKey | VBFXQIVTEKYBPS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004953.png) | Structure Backbone | ![](./frame/f_EGIN0004953.png) |
|
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 | 8879541 |
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 |
5328829
|
Drug Bank Link | - |
ChemSpider Link | 4485991 |
ChEMBL Link | - |