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 | ![](./image/EGIN0000179.png) | Structure Backbone | ![](./frame/f_EGIN0000179.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 | 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 |