| General Property |
| Molceule ID (DB) | EGIN0004096 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6b compound |
| IUPAC Name | 6-[(1E)-3-{2-[benzyl(2-chloroethyl)amino]ethyl}triaz-1-en-1-yl]-N-(3-chlorophenyl)quinazolin-4-amine |
| Formula | C25H25Cl2N7 |
| Mass | 494.419 |
| Exact Mass | 493.1548492 |
| Composition | C (60.73%), H (5.1%), Cl (14.34%), N (19.83%) |
| Atom Count | 59 |
| PI | 11.18 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/NCCN(CCCl)Cc1ccccc1 |
| InChI | 1S/C25H25Cl2N7/c26-11-13-34(17-19-5-2-1-3-6-19)14-12-30-33-32-22-9-10-24-23(16-22)25(29-18-28-24)31-
21-8-4-7-20(27)15-21/h1-10,15-16,18H,11-14,17H2,(H,30,32)(H,28,29,31) |
| InChIKey | VPYQQIHCRRKVJF-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 | 17472358 |
| 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 |
16719846
|
| Drug Bank Link | - |
| ChemSpider Link | 17624218 |
| ChEMBL Link | CHEMBL225929 |
