General Property |
Molceule ID (DB) | EGIN0004803 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 11 |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2,3-dihydro-1,4-benzodioxine-5-carboxamide |
Formula | C23H17BrN4O3 |
Mass | 477.31 |
Exact Mass | 476.0484031 |
Composition | C (57.88%), H (3.59%), Br (16.74%), N (11.74%), O (10.06%) |
Atom Count | 48 |
PI | 7.12 |
Smiles | c12cccc(c1OCCO2)C(=O)Nc1cc2c(cc1)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C23H17BrN4O3/c24-14-3-1-4-15(11-14)27-22-18-12-16(7-8-19(18)25-13-26-22)28-23(29)17-5-2-6-20-21(1
7)31-10-9-30-20/h1-8,11-13H,9-10H2,(H,28,29)(H,25,26,27) |
InChIKey | AVICQXMQJJNWFE-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 | 28514146 |
ChEMBL Link | - |