General Property |
Molceule ID (DB) | EGIN0004652 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 41 |
IUPAC Name | (2E)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-(4-nitrophenyl)prop-2-enamide |
Formula | C23H16ClN5O3 |
Mass | 445.858 |
Exact Mass | 445.0941671 |
Composition | C (61.96%), H (3.62%), Cl (7.95%), N (15.71%), O (10.77%) |
Atom Count | 48 |
PI | 9.11 |
Smiles | c1(ccc(cc1)[N+](=O)[O-])/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl |
InChI | 1S/C23H16ClN5O3/c24-16-2-1-3-17(12-16)28-23-20-13-18(7-10-21(20)25-14-26-23)27-22(30)11-6-15-4-8-19(
9-5-15)29(31)32/h1-14H,(H,27,30)(H,25,26,28)/b11-6+ |
InChIKey | OYWHHNUCYFWUFD-IZZDOVSWSA-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 | 21763148 |
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 |
56683153
|
Drug Bank Link | - |
ChemSpider Link | 26629601 |
ChEMBL Link | CHEMBL1812570 |