| General Property |
| Molceule ID (DB) | EGIN0004857 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 4(Q:1,X:E) |
| IUPAC Name | N-(2-benzyl-1H-1,3-benzodiazol-5-yl)quinazolin-4-amine |
| Formula | C22H17N5 |
| Mass | 351.4039 |
| Exact Mass | 351.1483956 |
| Composition | C (75.19%), H (4.88%), N (19.93%) |
| Atom Count | 44 |
| PI | 9.9 |
| Smiles | c1cc(cc2c1[nH]c(n2)Cc1ccccc1)Nc1c2c(ncn1)cccc2 |
| InChI | 1S/C22H17N5/c1-2-6-15(7-3-1)12-21-26-19-11-10-16(13-20(19)27-21)25-22-17-8-4-5-9-18(17)23-14-24-22/h
1-11,13-14H,12H2,(H,26,27)(H,23,24,25) |
| InChIKey | DTDOKRXSUWPVDY-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 |
44279376
|
| Drug Bank Link | - |
| ChemSpider Link | 23127523 |
| ChEMBL Link | CHEMBL32464 |
