| General Property |
| Molceule ID (DB) | EGIN0004347 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4 (AL194) |
| IUPAC Name | N-{2-[(2E)-3-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}triaz-2-en-1-yl]ethyl}-5-(dimethylamino)naphthalene-1-sulfonamide |
| Formula | C28H27ClN8O2S |
| Mass | 575.084 |
| Exact Mass | 574.1666205 |
| Composition | C (58.48%), H (4.73%), Cl (6.16%), N (19.48%), O (5.56%), S (5.58%) |
| Atom Count | 67 |
| PI | 7.28 |
| Smiles | c1ccc2c(c1N(C)C)cccc2S(=O)(=O)NCCN/N=N/c1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl |
| InChI | 1S/C28H27ClN8O2S/c1-37(2)26-10-4-9-23-22(26)8-5-11-27(23)40(38,39)33-15-14-32-36-35-21-12-13-25-24(1
7-21)28(31-18-30-25)34-20-7-3-6-19(29)16-20/h3-13,16-18,33H,14-15H2,1-2H3,(H,32,35)(H,30,31,34) |
| InChIKey | MUYAKCSSXBQEFX-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 | 20151639 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24654134 |
| ChEMBL Link | CHEMBL606413 |
