| General Property |
| Molceule ID (DB) | EGIN0004095 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6a compound |
| IUPAC Name | 6-[(1E)-3-{2-[(2-chloroethyl)(methyl)amino]ethyl}triaz-1-en-1-yl]-N-(3-chlorophenyl)quinazolin-4-amine |
| Formula | C19H21Cl2N7 |
| Mass | 418.323 |
| Exact Mass | 417.1235491 |
| Composition | C (54.55%), H (5.06%), Cl (16.95%), N (23.44%) |
| Atom Count | 49 |
| PI | 11.22 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/NCCN(CCCl)C |
| InChI | 1S/C19H21Cl2N7/c1-28(9-7-20)10-8-24-27-26-16-5-6-18-17(12-16)19(23-13-22-18)25-15-4-2-3-14(21)11-15/
h2-6,11-13H,7-10H2,1H3,(H,24,26)(H,22,23,25) |
| InChIKey | DGNJMLWWGCSXDU-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 |
16719966
|
| Drug Bank Link | - |
| ChemSpider Link | 17624338 |
| ChEMBL Link | CHEMBL225928 |
