| General Property |
| Molceule ID (DB) | EGIN0004098 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6d compound |
| IUPAC Name | 6-[(1E)-3-{2-[(2-chloroethyl)(4-chlorophenyl)amino]ethyl}triaz-1-en-1-yl]-N-(3-chlorophenyl)quinazolin-4-amine |
| Formula | C24H22Cl3N7 |
| Mass | 514.837 |
| Exact Mass | 513.1002269 |
| Composition | C (55.99%), H (4.31%), Cl (20.66%), N (19.04%) |
| Atom Count | 56 |
| PI | 9.05 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/NCCN(CCCl)c1ccc(cc1)Cl |
| InChI | 1S/C24H22Cl3N7/c25-10-12-34(21-7-4-17(26)5-8-21)13-11-30-33-32-20-6-9-23-22(15-20)24(29-16-28-23)31-
19-3-1-2-18(27)14-19/h1-9,14-16H,10-13H2,(H,30,32)(H,28,29,31) |
| InChIKey | KFZQAVCLGQSQOZ-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 |
16719847
|
| Drug Bank Link | - |
| ChemSpider Link | 17624219 |
| ChEMBL Link | CHEMBL225930 |
