General Property |
Molceule ID (DB) | EGIN0000176 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 15 compound |
IUPAC Name | N-[2-(aminocarbamothioyl)-4-chlorophenyl]-4-methylbenzamide |
Formula | C15H14ClN3OS |
Mass | 319.809 |
Exact Mass | 319.0546105 |
Composition | C (56.33%), H (4.41%), Cl (11.09%), N (13.14%), O (5%), S (10.03%) |
Atom Count | 35 |
PI | 6.79 |
Smiles | N(C(=S)c1c(NC(=O)c2ccc(cc2)C)ccc(c1)Cl)N |
InChI | 1S/C15H14ClN3OS/c1-9-2-4-10(5-3-9)14(20)18-13-7-6-11(16)8-12(13)15(21)19-17/h2-8H,17H2,1H3,(H,18,20)
(H,19,21) |
InChIKey | DWOJNXKZDCBGJF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000176.png) | Structure Backbone | ![](./frame/f_EGIN0000176.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 | 26351424 |
ChEMBL Link | CHEMBL1242172 |