| General Property |
| Molceule ID (DB) | EGIN0002004 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | (2R)-2-[(4-{[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]-1-(pyrrolidin-1-yl)propan-1-one |
| Formula | C28H27N7O2 |
| Mass | 493.5597 |
| Exact Mass | 493.2226231 |
| Composition | C (68.14%), H (5.51%), N (19.87%), O (6.48%) |
| Atom Count | 64 |
| PI | 9.88 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1ccccn1)O[C@H](C)C(=O)N1CCCC1 |
| InChI | InChI=1S/C28H27N7O2/c1-19(28(36)34-13-4-5-14-34)37-25-9-6-8-23-26(25)27(31-18-30-23)33-21-10-11-24-2
0(15-21)16-32-35(24)17-22-7-2-3-12-29-22/h2-3,6-12,15-16,18-19H,4-5,13-14,17H2,1H3,(H,30,31,33)/t19-
/m1/s1 |
| InChIKey | InChIKey=LJGRWCAMMHZPNE-LJQANCHMSA-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 |
16117087
|
| Drug Bank Link | - |
| ChemSpider Link | 17274306 |
| ChEMBL Link | CHEMBL256575 |
