General Property |
Molceule ID (DB) | EGIN0003435 |
Inhibitor Class | Amino-thiazole |
Molecule Name in Refrence Article | 12m compound |
IUPAC Name | N-(2-chloro-6-methylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide |
Formula | C17H16ClN5OS |
Mass | 373.86 |
Exact Mass | 373.0764086 |
Composition | C (54.61%), H (4.31%), Cl (9.48%), N (18.73%), O (4.28%), S (8.58%) |
Atom Count | 41 |
PI | 7.15 |
Smiles | c1(sc(nc1)Nc1nc(nc(c1)C)C)C(=O)Nc1c(Cl)cccc1C |
InChI | 1S/C17H16ClN5OS/c1-9-5-4-6-12(18)15(9)23-16(24)13-8-19-17(25-13)22-14-7-10(2)20-11(3)21-14/h4-8H,1-3
H3,(H,23,24)(H,19,20,21,22) |
InChIKey | WFRLFWGASBLYTC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003435.png) | Structure Backbone | ![](./frame/f_EGIN0003435.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 | 17154512 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Bcr-Abl | Cdk2 | FGFR1 | Fyn | Hck | Lck | Lyn | p38 | Src | Yes | ALL |
Pub Chem Link |
11153014
|
Drug Bank Link | - |
ChemSpider Link | 9328122 |
ChEMBL Link | CHEMBL364623 |