General Property |
Molceule ID (DB) | EGIN0000175 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 14 compound |
IUPAC Name | 3-amino-6-chloro-2-(4-methylphenyl)-3,4-dihydroquinazoline-4-thione |
Formula | C15H12ClN3S |
Mass | 301.794 |
Exact Mass | 301.0440458 |
Composition | C (59.7%), H (4.01%), Cl (11.75%), N (13.92%), S (10.62%) |
Atom Count | 32 |
PI | No isoelectric point. |
Smiles | n1(c(=S)c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)N |
InChI | 1S/C15H12ClN3S/c1-9-2-4-10(5-3-9)14-18-13-7-6-11(16)8-12(13)15(20)19(14)17/h2-8H,17H2,1H3 |
InChIKey | LVCDKUVZSLPTJF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000175.png) | Structure Backbone | ![](./frame/f_EGIN0000175.png) |
|
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 26351659 |
ChEMBL Link | CHEMBL1241402 |