| General Property |
| Molceule ID (DB) | EGIN0004097 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6c compound |
| IUPAC Name | 6-[(1E)-3-{2-[(2-chloroethyl)(4-methoxyphenyl)amino]ethyl}triaz-1-en-1-yl]-N-(3-chlorophenyl)quinazolin-4-amine |
| Formula | C25H25Cl2N7O |
| Mass | 510.418 |
| Exact Mass | 509.1497639 |
| Composition | C (58.83%), H (4.94%), Cl (13.89%), N (19.21%), O (3.13%) |
| Atom Count | 60 |
| PI | 9.19 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/NCCN(CCCl)c1ccc(cc1)OC |
| InChI | 1S/C25H25Cl2N7O/c1-35-22-8-6-21(7-9-22)34(13-11-26)14-12-30-33-32-20-5-10-24-23(16-20)25(29-17-28-24
)31-19-4-2-3-18(27)15-19/h2-10,15-17H,11-14H2,1H3,(H,30,32)(H,28,29,31) |
| InChIKey | RHDJKVOUEVEVHF-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 |
16719967
|
| Drug Bank Link | - |
| ChemSpider Link | 17624339 |
| ChEMBL Link | CHEMBL388286 |
