General Information of the Compound
| Compound ID |
CP0066948
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-[[4-(benzylcarbamoyl)phenyl]methyl]butanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25NO3
|
||||||||||||||||||
| Molecular Weight |
339.435
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25NO3/c1-3-18(21(24)25-4-2)14-16-10-12-19(13-11-16)20(23)22-15-17-8-6-5-7-9-17/h5-13,18H,3-4,14-15H2,1-2H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MILRTCDQWFEEEQ-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