General Property |
Molceule ID (DB) | EGIN0004848 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 5(Q:1,X:F) |
IUPAC Name | N-(1-benzyl-1H-1,3-benzodiazol-6-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 | 10.73 |
Smiles | c1cccc2c1c(ncn2)Nc1ccc2ncn(c2c1)Cc1ccccc1 |
InChI | 1S/C22H17N5/c1-2-6-16(7-3-1)13-27-15-25-20-11-10-17(12-21(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 | QGFNHEXCTWPTLL-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004848.png) | Structure Backbone | ![](./frame/f_EGIN0004848.png) |
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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 |
44279217
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Drug Bank Link | - |
ChemSpider Link | 23127346 |
ChEMBL Link | CHEMBL281881 |