General Property |
Molceule ID (DB) | EGIN0000184 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 23 compound |
IUPAC Name | 2-{[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl}acetamide |
Formula | C17H14ClN3OS |
Mass | 343.831 |
Exact Mass | 343.0546105 |
Composition | C (59.38%), H (4.1%), Cl (10.31%), N (12.22%), O (4.65%), S (9.33%) |
Atom Count | 37 |
PI | 8.26 |
Smiles | n1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)SCC(=O)N |
InChI | 1S/C17H14ClN3OS/c1-10-2-4-11(5-3-10)16-20-14-7-6-12(18)8-13(14)17(21-16)23-9-15(19)22/h2-8H,9H2,1H3,
(H2,19,22) |
InChIKey | LKTYXRSAGBYYOS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000184.png) | Structure Backbone | ![](./frame/f_EGIN0000184.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 | 26352633 |
ChEMBL Link | CHEMBL1242443 |