General Information of the Compound
Compound ID
CP0393084
Compound Name
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide
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Structure
Formula
C23H23FN2O3S
Molecular Weight
426.513
Canonical SMILES
CC(C(=O)NCc1ccc(cc1)-c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
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InChI
InChI=1S/C23H23FN2O3S/c1-16(20-12-13-22(21(24)14-20)26-30(2,28)29)23(27)25-15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-14,16,26H,15H2,1-2H3,(H,25,27)
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InChIKey
BBXCMDOREOIVNU-UHFFFAOYSA-N
Physicochemical Property
logP
4.2841
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 11350807
SID: 16442460
ChEMBL ID
CHEMBL1940206
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
Ki = 261 nM
   TI
   LI
   LO
   TS
2
Ki = 1750 nM
   TI
   LI
   LO
   TS