General Information of the Compound
Compound ID
CP0384879
Compound Name
N-[[2-cyclohexyl-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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Structure
Formula
C24H28F4N2O3S
Molecular Weight
500.558
Canonical SMILES
CC(C(=O)NCc1ccc(cc1C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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InChI
InChI=1S/C24H28F4N2O3S/c1-15(17-9-11-22(21(25)12-17)30-34(2,32)33)23(31)29-14-18-8-10-19(24(26,27)28)13-20(18)16-6-4-3-5-7-16/h8-13,15-16,30H,3-7,14H2,1-2H3,(H,29,31)
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InChIKey
AVZQDUWMFOMBTG-UHFFFAOYSA-N
Physicochemical Property
logP
5.6836
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
34

"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).

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PubChem ID
CID: 122194133
ChEMBL ID
CHEMBL3629228
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 = 0.6 nM
   TI
   LI
   LO
   TS