| General Property |
| Molceule ID (DB) | EGIN0002019 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | (2R)-N-methyl-2-[(4-{[1-(1,3-thiazol-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propanamide |
| Formula | C23H21N7O2S |
| Mass | 459.524 |
| Exact Mass | 459.1477436 |
| Composition | C (60.12%), H (4.61%), N (21.34%), O (6.96%), S (6.98%) |
| Atom Count | 54 |
| PI | 9.47 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1sccn1)O[C@@H](C(=O)NC)C |
| InChI | InChI=1S/C23H21N7O2S/c1-14(23(31)24-2)32-19-5-3-4-17-21(19)22(27-13-26-17)29-16-6-7-18-15(10-16)11-2
8-30(18)12-20-25-8-9-33-20/h3-11,13-14H,12H2,1-2H3,(H,24,31)(H,26,27,29)/t14-/m1/s1 |
| InChIKey | InChIKey=HUSDYKHBBUDXHX-CQSZACIVSA-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 |
16118309
|
| Drug Bank Link | - |
| ChemSpider Link | 17275515 |
| ChEMBL Link | CHEMBL257410 |
