| General Property |
| Molceule ID (DB) | EGIN0004100 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | N-(3-chlorophenyl)-6-[(1E)-3-(2-{[(2S)-2-chloropropyl](4-methoxyphenyl)amino}ethyl)triaz-1-en-1-yl]quinazolin-4-amine |
| Formula | C26H27Cl2N7O |
| Mass | 524.445 |
| Exact Mass | 523.1654139 |
| Composition | C (59.54%), H (5.19%), Cl (13.52%), N (18.7%), O (3.05%) |
| Atom Count | 63 |
| PI | 9.24 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/NCCN(C[C@@H](Cl)C)c1ccc(cc1)OC |
| InChI | 1S/C26H27Cl2N7O/c1-18(27)16-35(22-7-9-23(36-2)10-8-22)13-12-31-34-33-21-6-11-25-24(15-21)26(30-17-29
-25)32-20-5-3-4-19(28)14-20/h3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,31,33)(H,29,30,32)/t18-/m0/s1 |
| InChIKey | OQMCTCBSARHFKL-SFHVURJKSA-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 |
16719965
|
| Drug Bank Link | - |
| ChemSpider Link | 17624337 |
| ChEMBL Link | CHEMBL225721 |
