General Information of the Compound
| Compound ID |
CP0077909
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27NO4
|
||||||||||||||||||
| Molecular Weight |
429.516
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h3-15,31H,16-18H2,1-2H3,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZBSREXZWADXQE-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound