| General Property |
| Molceule ID (DB) | EGIN0000595 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine |
| Formula | C27H33ClFN5O3 |
| Mass | 530.034 |
| Exact Mass | 529.2255959 |
| Composition | C (61.18%), H (6.28%), Cl (6.69%), F (3.58%), N (13.21%), O (9.06%) |
| Atom Count | 70 |
| PI | 11.77 |
| Smiles | c12c(cc(cc1OC1CCOCC1)OCCCN1CCN(CC1)C)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C27H33ClFN5O3/c1-33-8-10-34(11-9-33)7-2-12-36-21-16-24-26(25(17-21)37-20-5-13-35-14-6-20)27(31-18
-30-24)32-19-3-4-23(29)22(28)15-19/h3-4,15-18,20H,2,5-14H2,1H3,(H,30,31,32) |
| InChIKey | UYNGIWGAHXGANL-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 | 16380259 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23267967 |
| ChEMBL Link | CHEMBL205776 |
