General Information of the Compound
| Compound ID |
CP0380522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[5-[[3-(2-phenylethoxy)phenyl]methyl]-1,3-dioxan-2-yl]propyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31NO4
|
||||||||||||||||||
| Molecular Weight |
397.515
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCCCC1OCC(Cc2cccc(OCCc3ccccc3)c2)CO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31NO4/c1-19(26)25-13-6-11-24-28-17-22(18-29-24)15-21-9-5-10-23(16-21)27-14-12-20-7-3-2-4-8-20/h2-5,7-10,16,22,24H,6,11-15,17-18H2,1H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQCVKXUQYRRHRC-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: PT04130, Acetyl-CoA carboxylase 1
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2