| General Property |
| Molceule ID (DB) | EGIN0000101 |
| Inhibitor Class | Benzo-dioxane |
| Molecule Name in Refrence Article | 18b compound |
| IUPAC Name | 2-[(7R)-4-[(3-bromophenyl)amino]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethan-1-ol |
| Formula | C18H16BrN3O3 |
| Mass | 402.242 |
| Exact Mass | 401.037504 |
| Composition | C (53.75%), H (4.01%), Br (19.86%), N (10.45%), O (11.93%) |
| Atom Count | 41 |
| PI | 10.04 |
| Smiles | OCC[C@@H]1COc2c(O1)cc1c(Nc3cc(Br)ccc3)ncnc1c2 |
| InChI | 1S/C18H16BrN3O3/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 | NQQJLHLFPOLRHO-CYBMUJFWSA-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 | 21732342 |
| 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 | - |
