General Information of the Compound
Compound ID
CP0395673
Compound Name
4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzenesulfonamide
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Structure
Formula
C17H12F2N2O3S
Molecular Weight
362.357
Canonical SMILES
Fc1ccc(cc1)S(=O)(=O)Nc1cc(F)cc(Oc2cccnc2)c1
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InChI
InChI=1S/C17H12F2N2O3S/c18-12-3-5-17(6-4-12)25(22,23)21-14-8-13(19)9-16(10-14)24-15-2-1-7-20-11-15/h1-11,21H
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InChIKey
OJSJYLMTZXCTPH-UHFFFAOYSA-N
Physicochemical Property
logP
3.9529
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
68.29
Hydrogen Bond Donor Count
1
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: 134154975
ChEMBL ID
CHEMBL3961620
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: 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 = 16595.87 nM
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