General Property |
Molceule ID (DB) | EGIN0002521 |
Inhibitor Class | Triazole |
Molecule Name in Refrence Article | 4h compound |
IUPAC Name | (2R)-2-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclohexan-1-one |
Formula | C15H17N3O |
Mass | 255.315 |
Exact Mass | 255.1371622 |
Composition | C (70.56%), H (6.71%), N (16.46%), O (6.27%) |
Atom Count | 36 |
PI | 9.25 |
Smiles | [C@H]1(n2cc(nn2)c2ccc(cc2)C)C(=O)CCCC1 |
InChI | 1S/C15H17N3O/c1-11-6-8-12(9-7-11)13-10-18(17-16-13)14-4-2-3-5-15(14)19/h6-10,14H,2-5H2,1H3/t14-/m1/s
1 |
InChIKey | GYLRZQXVSISSMM-CQSZACIVSA-N |
2D Structure | | Structure Backbone | |
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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 | 21084189 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | SRC | Cck | Lck | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 26381645 |
ChEMBL Link | CHEMBL1642294 |