| General Property |
| Molceule ID (DB) | EGIN0004914 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5u |
| IUPAC Name | 8-[(4-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methoxy}phenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one |
| Formula | C31H31F3N6O5 |
| Mass | 624.6102 |
| Exact Mass | 624.2308027 |
| Composition | C (59.61%), H (5%), F (9.12%), N (13.45%), O (12.81%) |
| Atom Count | 76 |
| PI | 11.51 |
| Smiles | Cc1c(OCC(F)(F)F)ccnc1COc1ccc(Nc2c3cc4n(CCCN5CCOCC5)c(=O)oc4cc3ncn2)cc1 |
| InChI | 1S/C31H31F3N6O5/c1-20-25(35-8-7-27(20)44-18-31(32,33)34)17-43-22-5-3-21(4-6-22)38-29-23-15-26-28(16-
24(23)36-19-37-29)45-30(41)40(26)10-2-9-39-11-13-42-14-12-39/h3-8,15-16,19H,2,9-14,17-18H2,1H3,(H,36
,37,38) |
| InChIKey | VYGITYDONCAYLI-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 | 22818848 |
| 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 | 28521084 |
| ChEMBL Link | - |
