| General Property |
| Molceule ID (DB) | EGIN0004812 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 9(Q:2,X:E) |
| IUPAC Name | N-(2-benzyl-1H-1,3-benzodiazol-5-yl)-6,7-dimethoxyquinazolin-4-amine |
| Formula | C24H21N5O2 |
| Mass | 411.4558 |
| Exact Mass | 411.1695249 |
| Composition | C (70.06%), H (5.14%), N (17.02%), O (7.78%) |
| Atom Count | 52 |
| PI | 9.9 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc2[nH]c(nc2c1)Cc1ccccc1)OC)OC |
| InChI | 1S/C24H21N5O2/c1-30-21-12-17-19(13-22(21)31-2)25-14-26-24(17)27-16-8-9-18-20(11-16)29-23(28-18)10-15
-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27) |
| InChIKey | HKZADGIXTKBZTF-UHFFFAOYSA-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 | 11378364 |
| 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 |
44279364
|
| Drug Bank Link | - |
| ChemSpider Link | 23127510 |
| ChEMBL Link | CHEMBL31407 |
