| General Property |
| Molceule ID (DB) | EGIN0004866 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 3(Q:1,X:D) |
| IUPAC Name | N-(1-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 | 10.87 |
| Smiles | c1cc(cc2c1n(cn2)Cc1ccccc1)Nc1c2c(ncn1)cccc2 |
| InChI | 1S/C22H17N5/c1-2-6-16(7-3-1)13-27-15-25-20-12-17(10-11-21(20)27)26-22-18-8-4-5-9-19(18)23-14-24-22/h
1-12,14-15H,13H2,(H,23,24,26) |
| InChIKey | STIOXNKQSXTMJD-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 |
44279421
|
| Drug Bank Link | - |
| ChemSpider Link | 23127554 |
| ChEMBL Link | CHEMBL31615 |
