| General Property |
| Molceule ID (DB) | EGIN0001515 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8d compound |
| IUPAC Name | N-[4-(benzenesulfonyl)phenyl]-6-{4-[(methanesulfonylmethyl)amino]butoxy}quinazolin-4-amine |
| Formula | C26H28N4O5S2 |
| Mass | 540.654 |
| Exact Mass | 540.1501114 |
| Composition | C (57.76%), H (5.22%), N (10.36%), O (14.8%), S (11.86%) |
| Atom Count | 65 |
| PI | 10.82 |
| Smiles | c12c(ccc(c1)OCCCCNCS(=O)(=O)C)ncnc2Nc1ccc(cc1)S(=O)(=O)c1ccccc1 |
| InChI | 1S/C26H28N4O5S2/c1-36(31,32)19-27-15-5-6-16-35-21-11-14-25-24(17-21)26(29-18-28-25)30-20-9-12-23(13-
10-20)37(33,34)22-7-3-2-4-8-22/h2-4,7-14,17-18,27H,5-6,15-16,19H2,1H3,(H,28,29,30) |
| InChIKey | UDIYTAFBHFLWLB-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 |
44269735
|
| Drug Bank Link | - |
| ChemSpider Link | 23113928 |
| ChEMBL Link | CHEMBL279334 |
