| General Property |
| Molceule ID (DB) | EGIN0000179 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | 2-{[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl}acetonitrile |
| Formula | C17H12ClN3S |
| Mass | 325.815 |
| Exact Mass | 325.0440458 |
| Composition | C (62.67%), H (3.71%), Cl (10.88%), N (12.9%), S (9.84%) |
| Atom Count | 34 |
| PI | 11.02 |
| Smiles | n1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)SCC#N |
| InChI | 1S/C17H12ClN3S/c1-11-2-4-12(5-3-11)16-20-15-7-6-13(18)10-14(15)17(21-16)22-9-8-19/h2-7,10H,9H2,1H3 |
| InChIKey | IYTAOWJDLVIVSY-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 20599299 |
| 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 | 26349845 |
| ChEMBL Link | CHEMBL1242262 |
