General Information of the Compound
Compound ID
CP0468570
Compound Name
N-[[2-cyclohexyloxy-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
    Show/Hide
Structure
Formula
C24H28F4N2O4S
Molecular Weight
516.557
Canonical SMILES
CC(C(=O)NCc1ccc(cc1OC1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
    Show/Hide
InChI
InChI=1S/C24H28F4N2O4S/c1-15(16-9-11-21(20(25)12-16)30-35(2,32)33)23(31)29-14-17-8-10-18(24(26,27)28)13-22(17)34-19-6-4-3-5-7-19/h8-13,15,19,30H,3-7,14H2,1-2H3,(H,29,31)
    Show/Hide
InChIKey
YAHNYLHLVBTIGO-UHFFFAOYSA-N
Physicochemical Property
logP
5.3474
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 58873454
ChEMBL ID
CHEMBL3627942
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: PT02183, 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)  1
1
Ki = 0.7 nM
   TI
   LI
   LO
   TS