General Property |
Molceule ID (DB) | EGIN0004656 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 38 |
IUPAC Name | (2E)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-(thiophen-2-yl)prop-2-enamide |
Formula | C21H15ClN4OS |
Mass | 406.888 |
Exact Mass | 406.0655095 |
Composition | C (61.99%), H (3.72%), Cl (8.71%), N (13.77%), O (3.93%), S (7.88%) |
Atom Count | 43 |
PI | 9.1 |
Smiles | c1(/C=C/C(=O)Nc2ccc3c(c2)c(ncn3)Nc2cc(ccc2)Cl)sccc1 |
InChI | 1S/C21H15ClN4OS/c22-14-3-1-4-15(11-14)26-21-18-12-16(6-8-19(18)23-13-24-21)25-20(27)9-7-17-5-2-10-28
-17/h1-13H,(H,25,27)(H,23,24,26)/b9-7+ |
InChIKey | QCXGPXCCRSBZGD-VQHVLOKHSA-N |
2D Structure | ![](./image/EGIN0004656.png) | Structure Backbone | ![](./frame/f_EGIN0004656.png) |
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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 |
56669670
|
Drug Bank Link | - |
ChemSpider Link | 26631169 |
ChEMBL Link | CHEMBL1812567 |