| General Property |
| Molceule ID (DB) | EGIN0001509 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12a compound |
| IUPAC Name | N-[4-(benzyloxy)phenyl]-6-{3-[(2-methanesulfonylethyl)amino]propyl}quinazolin-4-amine |
| Formula | C27H30N4O3S |
| Mass | 490.617 |
| Exact Mass | 490.2038615 |
| Composition | C (66.1%), H (6.16%), N (11.42%), O (9.78%), S (6.54%) |
| Atom Count | 65 |
| PI | 12.66 |
| Smiles | c12c(ccc(c1)CCCNCCS(=O)(=O)C)ncnc2Nc1ccc(cc1)OCc1ccccc1 |
| InChI | 1S/C27H30N4O3S/c1-35(32,33)17-16-28-15-5-8-21-9-14-26-25(18-21)27(30-20-29-26)31-23-10-12-24(13-11-2
3)34-19-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,20,28H,5,8,15-17,19H2,1H3,(H,29,30,31) |
| InChIKey | ZXKPALZZSAXAMO-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 |
54571275
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL14952 |
