| General Property |
| Molceule ID (DB) | EGIN0001516 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8e compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{4-[(2-methanesulfonylethyl)amino]butyl}quinazolin-4-amine |
| Formula | C28H30ClFN4O3S |
| Mass | 557.079 |
| Exact Mass | 556.1711174 |
| Composition | C (60.37%), H (5.43%), Cl (6.36%), F (3.41%), N (10.06%), O (8.62%), S (5.76%) |
| Atom Count | 68 |
| PI | 12.61 |
| Smiles | c12c(ccc(c1)CCCCNCCS(=O)(=O)C)ncnc2Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
| InChI | 1S/C28H30ClFN4O3S/c1-38(35,36)14-13-31-12-3-2-5-20-8-10-26-24(16-20)28(33-19-32-26)34-23-9-11-27(25(
29)17-23)37-18-21-6-4-7-22(30)15-21/h4,6-11,15-17,19,31H,2-3,5,12-14,18H2,1H3,(H,32,33,34) |
| InChIKey | NLWZUHXEKMMZMF-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL14297 |
