| General Property |
| Molceule ID (DB) | EGIN0001843 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10a compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine |
| Formula | C27H26ClFN4O2 |
| Mass | 492.972 |
| Exact Mass | 492.172832 |
| Composition | C (65.78%), H (5.32%), Cl (7.19%), F (3.85%), N (11.37%), O (6.49%) |
| Atom Count | 61 |
| PI | 12.02 |
| Smiles | c1(c2c(OC3CCN(CC3)C)cccc2ncn1)Nc1cc(c(OCc2cc(F)ccc2)cc1)Cl |
| InChI | 1S/C27H26ClFN4O2/c1-33-12-10-21(11-13-33)35-25-7-3-6-23-26(25)27(31-17-30-23)32-20-8-9-24(22(28)15-2
0)34-16-18-4-2-5-19(29)14-18/h2-9,14-15,17,21H,10-13,16H2,1H3,(H,30,31,32) |
| InChIKey | VQXONFAAUSCWAP-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 | 16055332 |
| 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 |
10152238
|
| Drug Bank Link | - |
| ChemSpider Link | 8327746 |
| ChEMBL Link | CHEMBL197640 |
