| General Property |
| Molceule ID (DB) | EGIN0001849 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12d compound |
| IUPAC Name | 5-[(1-methylpiperidin-4-yl)oxy]-N-[4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine |
| Formula | C26H27N5O2 |
| Mass | 441.5249 |
| Exact Mass | 441.2164751 |
| Composition | C (70.73%), H (6.16%), N (15.86%), O (7.25%) |
| Atom Count | 60 |
| PI | 12.21 |
| Smiles | c1(c2c(OC3CCN(CC3)C)cccc2ncn1)Nc1ccc(OCc2ncccc2)cc1 |
| InChI | 1S/C26H27N5O2/c1-31-15-12-22(13-16-31)33-24-7-4-6-23-25(24)26(29-18-28-23)30-19-8-10-21(11-9-19)32-1
7-20-5-2-3-14-27-20/h2-11,14,18,22H,12-13,15-17H2,1H3,(H,28,29,30) |
| InChIKey | BUMADWVVVPZKNG-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 |
44403435
|
| Drug Bank Link | - |
| ChemSpider Link | 23261684 |
| ChEMBL Link | CHEMBL194337 |
