| General Property |
| Molceule ID (DB) | EGIN0001091 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18b compound |
| IUPAC Name | 2-[(7R)-4-[(4-bromo-2-fluorophenyl)amino]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethan-1-ol |
| Formula | C18H15BrFN3O3 |
| Mass | 420.232 |
| Exact Mass | 419.0280822 |
| Composition | C (51.45%), H (3.6%), Br (19.01%), F (4.52%), N (10%), O (11.42%) |
| Atom Count | 41 |
| PI | 9.1 |
| Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCO)ncnc2Nc1c(cc(cc1)Br)F |
| InChI | 1S/C18H15BrFN3O3/c19-10-1-2-14(13(20)5-10)23-18-12-6-17-16(7-15(12)21-9-22-18)25-8-11(26-17)3-4-24/h
1-2,5-7,9,11,24H,3-4,8H2,(H,21,22,23)/t11-/m1/s1 |
| InChIKey | SZYCAYXFUAOARN-LLVKDONJSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
