| General Property |
| Molceule ID (DB) | EGIN0000090 |
| Inhibitor Class | Benzo-dioxane |
| Molecule Name in Refrence Article | 3h compound |
| IUPAC Name | 2-({2-[(7R)-4-[(3-bromophenyl)amino]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethyl}(2-hydroxyethyl)amino)ethan-1-ol |
| Formula | C22H25BrN4O4 |
| Mass | 489.362 |
| Exact Mass | 488.105918 |
| Composition | C (54%), H (5.15%), Br (16.33%), N (11.45%), O (13.08%) |
| Atom Count | 56 |
| PI | 11.94 |
| Smiles | OCCN(CCO)CC[C@@H]1COc2c(O1)cc1c(Nc3cc(Br)ccc3)ncnc1c2 |
| InChI | 1S/C22H25BrN4O4/c23-15-2-1-3-16(10-15)26-22-18-11-21-20(12-19(18)24-14-25-22)30-13-17(31-21)4-5-27(6
-8-28)7-9-29/h1-3,10-12,14,17,28-29H,4-9,13H2,(H,24,25,26)/t17-/m1/s1 |
| InChIKey | IBUTUFYOPOHGMG-QGZVFWFLSA-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 | 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 | - |
