General Information of the Compound
| Compound ID |
CP0077903
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Hydroxy-2,4-dimethyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23NO4
|
||||||||||||||||||
| Molecular Weight |
353.418
|
||||||||||||||||||
| Canonical SMILES |
CC(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23NO4/c1-20(2,15-7-5-4-6-8-15)13-21(3,25)19(24)22-16-9-10-17-14(11-16)12-26-18(17)23/h4-11,25H,12-13H2,1-3H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGYIVBNMBYBQGZ-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