| General Property |
| Molceule ID (DB) | EGIN0001844 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10b compound |
| IUPAC Name | N-(3-chloro-4-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine |
| Formula | C21H23ClN4O2 |
| Mass | 398.886 |
| Exact Mass | 398.1509537 |
| Composition | C (63.23%), H (5.81%), Cl (8.89%), N (14.05%), O (8.02%) |
| Atom Count | 51 |
| PI | 12.03 |
| Smiles | c1(c2c(OC3CCN(CC3)C)cccc2ncn1)Nc1cc(c(cc1)OC)Cl |
| InChI | 1S/C21H23ClN4O2/c1-26-10-8-15(9-11-26)28-19-5-3-4-17-20(19)21(24-13-23-17)25-14-6-7-18(27-2)16(22)12
-14/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,24,25) |
| InChIKey | WWZJQIRRGMAENV-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 |
44403425
|
| Drug Bank Link | - |
| ChemSpider Link | 23261672 |
| ChEMBL Link | CHEMBL197525 |
