General Information of the Compound
Compound ID
CP0376969
Compound Name
N-(4-butylphenyl)-4-fluorobenzenesulfonamide
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Structure
Formula
C16H18FNO2S
Molecular Weight
307.39
Canonical SMILES
CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
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InChI
InChI=1S/C16H18FNO2S/c1-2-3-4-13-5-9-15(10-6-13)18-21(19,20)16-11-7-14(17)8-12-16/h5-12,18H,2-4H2,1H3
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InChIKey
CNGHPXKWPGIDSK-UHFFFAOYSA-N
Physicochemical Property
logP
3.9691
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 2843133
SID: 104168773
ChEMBL ID
CHEMBL3931570
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000460 Flp-In-T-REx-293 Homo sapiens (Human)  1
1
IC50 = 8128.31 nM
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Protein ID: PT04427, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 5370.32 nM
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