| General Property |
| Molceule ID (DB) | EGIN0001089 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3q compound |
| IUPAC Name | (7R)-N-(3-chloro-4-fluorophenyl)-7-[2-(piperidin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C23H24ClFN4O2 |
| Mass | 442.914 |
| Exact Mass | 442.1571819 |
| Composition | C (62.37%), H (5.46%), Cl (8%), F (4.29%), N (12.65%), O (7.22%) |
| Atom Count | 55 |
| PI | 12.56 |
| Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCN1CCCCC1)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C23H24ClFN4O2/c24-18-10-15(4-5-19(18)25)28-23-17-11-22-21(12-20(17)26-14-27-23)30-13-16(31-22)6-9
-29-7-2-1-3-8-29/h4-5,10-12,14,16H,1-3,6-9,13H2,(H,26,27,28)/t16-/m1/s1 |
| InChIKey | FPPBXULFHJDOMA-MRXNPFEDSA-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 | 0 |
| 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 |
14902286
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
