General Information of the Compound
Compound ID
CP0510718
Compound Name
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide
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Structure
Formula
C17H19FN2O4S
Molecular Weight
366.414
Canonical SMILES
CC(C(=O)NOCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
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InChI
InChI=1S/C17H19FN2O4S/c1-12(17(21)19-24-11-13-6-4-3-5-7-13)14-8-9-16(15(18)10-14)20-25(2,22)23/h3-10,12,20H,11H2,1-2H3,(H,19,21)
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InChIKey
SVHLVDCWHKBOIB-UHFFFAOYSA-N
Physicochemical Property
logP
2.5487
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 11748895
SID: 16856488
ChEMBL ID
CHEMBL1940374
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)  1
1
Ki = 9400 nM
   TI
   LI
   LO
   TS