General Property |
Molceule ID (DB) | EGIN0000172 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 11 compound |
IUPAC Name | [6-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino benzoate |
Formula | C22H16ClN3O2 |
Mass | 389.834 |
Exact Mass | 389.0931045 |
Composition | C (67.78%), H (4.14%), Cl (9.09%), N (10.78%), O (8.21%) |
Atom Count | 44 |
PI | 5.92 |
Smiles | n1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)NOC(=O)c1ccccc1 |
InChI | 1S/C22H16ClN3O2/c1-14-7-9-15(10-8-14)20-24-19-12-11-17(23)13-18(19)21(25-20)26-28-22(27)16-5-3-2-4-6
-16/h2-13H,1H3,(H,24,25,26) |
InChIKey | OLVDBNWVBPACII-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000172.png) | Structure Backbone | ![](./frame/f_EGIN0000172.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 | 20599299 |
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 26352649 |
ChEMBL Link | CHEMBL1242171 |