General Information of the Compound
Compound ID
CP0410338
Compound Name
2-(4-Hydroxy-3-methoxy-phenyl)-N-octyl-acetamide
    Show/Hide
Structure
Formula
C17H27NO3
Molecular Weight
293.407
Canonical SMILES
CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1
    Show/Hide
InChI
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-11-18-17(20)13-14-9-10-15(19)16(12-14)21-2/h9-10,12,19H,3-8,11,13H2,1-2H3,(H,18,20)
    Show/Hide
InChIKey
RRCXCIBDXPXSRA-UHFFFAOYSA-N
CAS
58418-73-8
Physicochemical Property
logP
3.42
Rotatable Bonds
10
Heavy Atom Count
21
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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
CID: 3041745
SID: 16726454
ChEMBL ID
CHEMBL76961
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: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 77 nM
   TI
   LI
   LO
   TS
2
Ki = 848 nM
   TI
   LI
   LO
   TS