General Property |
Molceule ID (DB) | EGIN0004782 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 13 |
IUPAC Name | 6,7-dimethoxy-N-(2-methyl-1H-1,3-benzodiazol-5-yl)quinazolin-4-amine |
Formula | C18H17N5O2 |
Mass | 335.3599 |
Exact Mass | 335.1382248 |
Composition | C (64.47%), H (5.11%), N (20.88%), O (9.54%) |
Atom Count | 42 |
PI | 10.35 |
Smiles | COc1c(OC)cc2c(Nc3ccc4[nH]c(nc4c3)C)ncnc2c1 |
InChI | 1S/C18H17N5O2/c1-10-21-13-5-4-11(6-15(13)22-10)23-18-12-7-16(24-2)17(25-3)8-14(12)19-9-20-18/h4-9H,1
-3H3,(H,21,22)(H,19,20,23) |
InChIKey | BTBAPAQGUCZBOA-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 22867529 |
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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |