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 | ![](./image/EGIN0004866.png) | Structure Backbone | ![](./frame/f_EGIN0004866.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 |
44279421
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Drug Bank Link | - |
ChemSpider Link | 23127554 |
ChEMBL Link | CHEMBL31615 |