| General Property |
| Molceule ID (DB) | EGIN0000008 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3b |
| IUPAC Name | (7R,8R)-4-[(3-bromophenyl)methyl]-7,8-bis(methoxymethyl)-7H,8H-[1,4]dioxino[2,3-g]quinazoline |
| Formula | C21H21BrN2O4 |
| Mass | 445.306 |
| Exact Mass | 444.0684698 |
| Composition | C (56.64%), H (4.75%), Br (17.94%), N (6.29%), O (14.37%) |
| Atom Count | 49 |
| PI | No isoelectric point. |
| Smiles | c12c(ncnc1Cc1cccc(c1)Br)cc1c(c2)O[C@@H]([C@H](O1)COC)COC |
| InChI | 1S/C21H21BrN2O4/c1-25-10-20-21(11-26-2)28-19-9-17-15(8-18(19)27-20)16(23-12-24-17)7-13-4-3-5-14(22)6
-13/h3-6,8-9,12,20-21H,7,10-11H2,1-2H3/t20-,21-/m1/s1 |
| InChIKey | FFAAMOWYWRTWQU-NHCUHLMSSA-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 | 16211656 |
| 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 | - |
