| General Property |
| Molceule ID (DB) | EGIN0004956 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 35b |
| IUPAC Name | N-(3-chlorophenyl)-6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine |
| Formula | C26H26ClN5O2 |
| Mass | 475.97 |
| Exact Mass | 475.1775028 |
| Composition | C (65.61%), H (5.51%), Cl (7.45%), N (14.71%), O (6.72%) |
| Atom Count | 60 |
| PI | 11.12 |
| Smiles | c12cc(c(cc1nc(nc2Nc1cc(ccc1)Cl)N1CCN(CC1)c1ccccc1)OC)OC |
| InChI | 1S/C26H26ClN5O2/c1-33-23-16-21-22(17-24(23)34-2)29-26(30-25(21)28-19-8-6-7-18(27)15-19)32-13-11-31(1
2-14-32)20-9-4-3-5-10-20/h3-10,15-17H,11-14H2,1-2H3,(H,28,29,30) |
| InChIKey | ISUCGPXEDXWPBD-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 | 8879541 |
| 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 |
5328833
|
| Drug Bank Link | - |
| ChemSpider Link | 4485995 |
| ChEMBL Link | - |
