| General Property |
| Molceule ID (DB) | EGIN0002627 |
| Inhibitor Class | Hydroxybiphenyl |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | (2R)-2,4,4-trimethylpentyl 4-(3-tert-butyl-5-hydroxyphenyl)benzoate |
| Formula | C25H34O3 |
| Mass | 382.5357 |
| Exact Mass | 382.250795 |
| Composition | C (78.49%), H (8.96%), O (12.55%) |
| Atom Count | 62 |
| PI | No isoelectric point. |
| Smiles | C[C@@H](COC(=O)c1ccc(cc1)c1cc(O)cc(c1)C(C)(C)C)CC(C)(C)C |
| InChI | 1S/C25H34O3/c1-17(15-24(2,3)4)16-28-23(27)19-10-8-18(9-11-19)20-12-21(25(5,6)7)14-22(26)13-20/h8-14,
17,26H,15-16H2,1-7H3/t17-/m1/s1 |
| InChIKey | KZNCKTMBABZLOD-QGZVFWFLSA-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 | 7473597 |
| 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 | 8937797 |
| ChEMBL Link | CHEMBL359136 |
