| General Property |
| Molceule ID (DB) | EGIN0002016 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | (2R)-1-(morpholin-4-yl)-2-[(4-{[1-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propan-1-one |
| Formula | C26H25N7O3S |
| Mass | 515.587 |
| Exact Mass | 515.1739584 |
| Composition | C (60.57%), H (4.89%), N (19.02%), O (9.31%), S (6.22%) |
| Atom Count | 62 |
| PI | 9.64 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cscn1)O[C@@H](C(=O)N1CCOCC1)C |
| InChI | InChI=1S/C26H25N7O3S/c1-17(26(34)32-7-9-35-10-8-32)36-23-4-2-3-21-24(23)25(28-15-27-21)31-19-5-6-22-
18(11-19)12-30-33(22)13-20-14-37-16-29-20/h2-6,11-12,14-17H,7-10,13H2,1H3,(H,27,28,31)/t17-/m1/s1 |
| InChIKey | InChIKey=OPUMJZOXVSSCCU-QGZVFWFLSA-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 |
16117890
|
| Drug Bank Link | - |
| ChemSpider Link | 17275098 |
| ChEMBL Link | CHEMBL404327 |
