General Property |
Molceule ID (DB) | EGIN0004649 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 44 |
IUPAC Name | (2E)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-(3-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 | c1c(cccc1/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)[N+](=O)[O-] |
InChI | 1S/C23H16ClN5O3/c24-16-4-2-5-17(12-16)28-23-20-13-18(8-9-21(20)25-14-26-23)27-22(30)10-7-15-3-1-6-19
(11-15)29(31)32/h1-14H,(H,27,30)(H,25,26,28)/b10-7+ |
InChIKey | GTTPNTBBUDXSMN-JXMROGBWSA-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 |
53484043
|
Drug Bank Link | - |
ChemSpider Link | 26629502 |
ChEMBL Link | CHEMBL1812573 |