General Property |
Molceule ID (DB) | EGIN0000177 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 16 compound |
IUPAC Name | 6-chloro-2-(4-methylphenyl)-4-(methylsulfanyl)quinazoline |
Formula | C16H13ClN2S |
Mass | 300.806 |
Exact Mass | 300.0487968 |
Composition | C (63.89%), H (4.36%), Cl (11.79%), N (9.31%), S (10.66%) |
Atom Count | 33 |
PI | No isoelectric point. |
Smiles | n1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)SC |
InChI | 1S/C16H13ClN2S/c1-10-3-5-11(6-4-10)15-18-14-8-7-12(17)9-13(14)16(19-15)20-2/h3-9H,1-2H3 |
InChIKey | MPXOCRMSDIQQSP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000177.png) | Structure Backbone | ![](./frame/f_EGIN0000177.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 | 26351368 |
ChEMBL Link | CHEMBL1241403 |