| General Property |
| Molceule ID (DB) | EGIN0001506 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8a compound |
| IUPAC Name | N-[4-(benzyloxy)phenyl]-6-{4-[(2-methanesulfonylethyl)amino]butyl}quinazolin-4-amine |
| Formula | C28H32N4O3S |
| Mass | 504.644 |
| Exact Mass | 504.2195116 |
| Composition | C (66.64%), H (6.39%), N (11.1%), O (9.51%), S (6.35%) |
| Atom Count | 68 |
| PI | 12.82 |
| Smiles | c12c(ccc(c1)CCCCNCCS(=O)(=O)C)ncnc2Nc1ccc(cc1)OCc1ccccc1 |
| InChI | 1S/C28H32N4O3S/c1-36(33,34)18-17-29-16-6-5-7-22-10-15-27-26(19-22)28(31-21-30-27)32-24-11-13-25(14-1
2-24)35-20-23-8-3-2-4-9-23/h2-4,8-15,19,21,29H,5-7,16-18,20H2,1H3,(H,30,31,32) |
| InChIKey | UUZFAVVQDXHKNK-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 |
54373655
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL15346 |
