| General Property |
| Molceule ID (DB) | EGIN0002617 |
| Inhibitor Class | Hydroxybiphenyl |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | (2R)-2,4,4-trimethylpentyl 4-(2-hydroxy-4-phenylphenyl)benzoate |
| Formula | C27H30O3 |
| Mass | 402.5253 |
| Exact Mass | 402.2194948 |
| Composition | C (80.56%), H (7.51%), O (11.92%) |
| Atom Count | 60 |
| PI | No isoelectric point. |
| Smiles | c1cccc(c1)c1ccc(c(c1)O)c1ccc(cc1)C(=O)OC[C@H](C)CC(C)(C)C |
| InChI | 1S/C27H30O3/c1-19(17-27(2,3)4)18-30-26(29)22-12-10-21(11-13-22)24-15-14-23(16-25(24)28)20-8-6-5-7-9-
20/h5-16,19,28H,17-18H2,1-4H3/t19-/m1/s1 |
| InChIKey | NFILBRWXGOPTRA-LJQANCHMSA-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 |
10644813
|
| Drug Bank Link | - |
| ChemSpider Link | 8820172 |
| ChEMBL Link | CHEMBL346637 |
