General Information of the Compound
| Compound ID |
CP0376690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[5-[[3-(2-cyclopentylethoxy)phenyl]methyl]-1,3-dioxan-2-yl]propyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H35NO4
|
||||||||||||||||||
| Molecular Weight |
389.536
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CCCC3)c2)CO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H35NO4/c1-18(25)24-12-5-10-23-27-16-21(17-28-23)14-20-8-4-9-22(15-20)26-13-11-19-6-2-3-7-19/h4,8-9,15,19,21,23H,2-3,5-7,10-14,16-17H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBMOZCAXRBUURK-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
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT04130, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2