General Property |
Molceule ID (DB) | EGIN0000174 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 13 compound |
IUPAC Name | 6-chloro-2-(4-methylphenyl)-4H-3,1-benzoxazine-4-thione |
Formula | C15H10ClNOS |
Mass | 287.764 |
Exact Mass | 287.0171623 |
Composition | C (62.61%), H (3.5%), Cl (12.32%), N (4.87%), O (5.56%), S (11.14%) |
Atom Count | 29 |
PI | No isoelectric point. |
Smiles | o1c(=S)c2c(nc1c1ccc(cc1)C)ccc(c2)Cl |
InChI | 1S/C15H10ClNOS/c1-9-2-4-10(5-3-9)14-17-13-7-6-11(16)8-12(13)15(19)18-14/h2-8H,1H3 |
InChIKey | HEPGOTZUBQEFGH-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 | 26352618 |
ChEMBL Link | CHEMBL1241370 |