| General Property |
| Molceule ID (DB) | EGIN0001517 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8f compound |
| IUPAC Name | N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-6-{4-[(methanesulfonylmethyl)amino]butoxy}quinazolin-4-amine |
| Formula | C28H29FN6O3S |
| Mass | 548.632 |
| Exact Mass | 548.2005877 |
| Composition | C (61.3%), H (5.33%), F (3.46%), N (15.32%), O (8.75%), S (5.84%) |
| Atom Count | 68 |
| PI | 11.27 |
| Smiles | c12c(ccc(c1)OCCCCNCS(=O)(=O)C)ncnc2Nc1cc2c(cc1)n(nc2)Cc1cccc(c1)F |
| InChI | 1S/C28H29FN6O3S/c1-39(36,37)19-30-11-2-3-12-38-24-8-9-26-25(15-24)28(32-18-31-26)34-23-7-10-27-21(14
-23)16-33-35(27)17-20-5-4-6-22(29)13-20/h4-10,13-16,18,30H,2-3,11-12,17,19H2,1H3,(H,31,32,34) |
| InChIKey | NWMZGKDXHRKYIH-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 | 14684309 |
| 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 |
10053243
|
| Drug Bank Link | - |
| ChemSpider Link | 8228803 |
| ChEMBL Link | CHEMBL14515 |
