| General Property |
| Molceule ID (DB) | EGIN0002014 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | (2S)-N,N-dimethyl-2-[(4-{[1-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propanamide |
| Formula | C24H23N7O2S |
| Mass | 473.55 |
| Exact Mass | 473.1633937 |
| Composition | C (60.87%), H (4.9%), N (20.7%), O (6.76%), S (6.77%) |
| Atom Count | 57 |
| PI | 9.64 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cscn1)O[C@H](C(=O)N(C)C)C |
| InChI | InChI=1S/C24H23N7O2S/c1-15(24(32)30(2)3)33-21-6-4-5-19-22(21)23(26-13-25-19)29-17-7-8-20-16(9-17)10-
28-31(20)11-18-12-34-14-27-18/h4-10,12-15H,11H2,1-3H3,(H,25,26,29)/t15-/m0/s1 |
| InChIKey | InChIKey=SPQOUTREGZQUFW-HNNXBMFYSA-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 |
16117891
|
| Drug Bank Link | - |
| ChemSpider Link | 17275099 |
| ChEMBL Link | CHEMBL256996 |
