General Property |
Molceule ID (DB) | EGIN0004764 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 15 |
IUPAC Name | 6-N-(2H-1,3-benzodioxol-5-ylmethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine |
Formula | C22H17BrN4O2 |
Mass | 449.3 |
Exact Mass | 448.0534885 |
Composition | C (58.81%), H (3.81%), Br (17.78%), N (12.47%), O (7.12%) |
Atom Count | 46 |
PI | 10.52 |
Smiles | c1c2OCOc2cc(c1)CNc1cc2c(cc1)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C22H17BrN4O2/c23-15-2-1-3-17(9-15)27-22-18-10-16(5-6-19(18)25-12-26-22)24-11-14-4-7-20-21(8-14)29
-13-28-20/h1-10,12,24H,11,13H2,(H,25,26,27) |
InChIKey | DRIQKFZQTNZHHK-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 | 22901387 |
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 | 28514079 |
ChEMBL Link | - |