General Information of the Compound
Compound ID
CP0557735
Compound Name
2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
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Structure
Formula
C16H19NO3S
Molecular Weight
305.399
Canonical SMILES
COc1ccccc1S(=O)(=O)Nc1c(C)cc(C)cc1C
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InChI
InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-8-6-5-7-14(15)20-4/h5-10,17H,1-4H3
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InChIKey
PBBXWDGIVWJYBC-UHFFFAOYSA-N
Physicochemical Property
logP
3.42126
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 118707170
ChEMBL ID
CHEMBL3311311
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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