| General Property |
| Molceule ID (DB) | EGIN0000552 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-7-methoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine |
| Formula | C26H21F3N4O3S |
| Mass | 526.53 |
| Exact Mass | 526.1286459 |
| Composition | C (59.31%), H (4.02%), F (10.82%), N (10.64%), O (9.12%), S (6.09%) |
| Atom Count | 58 |
| PI | 10.29 |
| Smiles | c12c(cc(c(c1)OCCCSc1nc3c(o1)cccc3)OC)ncnc2Nc1cccc(c1)C(F)(F)F |
| InChI | 1S/C26H21F3N4O3S/c1-34-22-14-20-18(24(31-15-30-20)32-17-7-4-6-16(12-17)26(27,28)29)13-23(22)35-10-5-
11-37-25-33-19-8-2-3-9-21(19)36-25/h2-4,6-9,12-15H,5,10-11H2,1H3,(H,30,31,32) |
| InChIKey | GWXHWLFVOCIPPZ-UHFFFAOYSA-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 | 18771819 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24619276 |
| ChEMBL Link | CHEMBL550852 |
