General Information of the Compound
Compound ID
CP0411803
Compound Name
4-phenyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
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Structure
Formula
C21H21NO2S
Molecular Weight
351.471
Canonical SMILES
Cc1cc(C)c(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c(C)c1
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InChI
InChI=1S/C21H21NO2S/c1-15-13-16(2)21(17(3)14-15)22-25(23,24)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,22H,1-3H3
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InChIKey
LAOJNOHPRCPMNL-UHFFFAOYSA-N
Physicochemical Property
logP
5.07966
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 118707171
ChEMBL ID
CHEMBL3311321
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
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 31622.78 nM
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   TS