General Property |
Molceule ID (DB) | EGIN0000182 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | 2-{[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl}ethan-1-ol |
Formula | C17H15ClN2OS |
Mass | 330.832 |
Exact Mass | 330.0593615 |
Composition | C (61.72%), H (4.57%), Cl (10.72%), N (8.47%), O (4.84%), S (9.69%) |
Atom Count | 37 |
PI | 8.45 |
Smiles | n1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)SCCO |
InChI | 1S/C17H15ClN2OS/c1-11-2-4-12(5-3-11)16-19-15-7-6-13(18)10-14(15)17(20-16)22-9-8-21/h2-7,10,21H,8-9H2
,1H3 |
InChIKey | MSMXZQXKAXFQBJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000182.png) | Structure Backbone | ![](./frame/f_EGIN0000182.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 | 26351453 |
ChEMBL Link | CHEMBL1242351 |