| General Property |
| Molceule ID (DB) | EGIN0002001 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | (2S)-N,N-dimethyl-2-[(4-{[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propanamide |
| Formula | C26H25N7O2 |
| Mass | 467.5224 |
| Exact Mass | 467.2069731 |
| Composition | C (66.79%), H (5.39%), N (20.97%), O (6.84%) |
| Atom Count | 60 |
| PI | 9.88 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1ccccn1)O[C@@H](C)C(=O)N(C)C |
| InChI | InChI=1S/C26H25N7O2/c1-17(26(34)32(2)3)35-23-9-6-8-21-24(23)25(29-16-28-21)31-19-10-11-22-18(13-19)1
4-30-33(22)15-20-7-4-5-12-27-20/h4-14,16-17H,15H2,1-3H3,(H,28,29,31)/t17-/m0/s1 |
| InChIKey | InChIKey=XGGPNQWFYUZWNO-KRWDZBQOSA-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 | 18313293 |
| 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 |
16116962
|
| Drug Bank Link | - |
| ChemSpider Link | 17274181 |
| ChEMBL Link | CHEMBL402657 |
