| General Property |
| Molceule ID (DB) | EGIN0004435 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 6g compound |
| IUPAC Name | 4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]quinazoline-4,6-diamine |
| Formula | C21H16Cl2N4 |
| Mass | 395.285 |
| Exact Mass | 394.0752019 |
| Composition | C (63.81%), H (4.08%), Cl (17.94%), N (14.17%) |
| Atom Count | 43 |
| PI | 10.48 |
| Smiles | n1cnc(c2c1ccc(c2)NCc1c(cccc1)Cl)Nc1cc(ccc1)Cl |
| InChI | 1S/C21H16Cl2N4/c22-15-5-3-6-17(10-15)27-21-18-11-16(8-9-20(18)25-13-26-21)24-12-14-4-1-2-7-19(14)23/
h1-11,13,24H,12H2,(H,25,26,27) |
| InChIKey | QBUABODADSHDMP-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 | 22112541 |
| 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 |
57400660
|
| Drug Bank Link | - |
| ChemSpider Link | 28480562 |
| ChEMBL Link | CHEMBL1928891 |
