| General Property |
| Molceule ID (DB) | EGIN0001090 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18a compound |
| IUPAC Name | 2-[(7R)-4-[(3-chlorophenyl)amino]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethan-1-ol |
| Formula | C18H16ClN3O3 |
| Mass | 357.791 |
| Exact Mass | 357.0880191 |
| Composition | C (60.42%), H (4.51%), Cl (9.91%), N (11.74%), O (13.42%) |
| Atom Count | 41 |
| PI | 10.02 |
| Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCO)ncnc2Nc1cc(ccc1)Cl |
| InChI | 1S/C18H16ClN3O3/c19-11-2-1-3-12(6-11)22-18-14-7-17-16(8-15(14)20-10-21-18)24-9-13(25-17)4-5-23/h1-3,
6-8,10,13,23H,4-5,9H2,(H,20,21,22)/t13-/m1/s1 |
| InChIKey | ZKSLWCIQJMLFPG-CYBMUJFWSA-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 |
23240660
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
