General Information of the Compound
Compound ID
CP0411324
Compound Name
4-acetyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
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Structure
Formula
C17H19NO3S
Molecular Weight
317.41
Canonical SMILES
CC(=O)c1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
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InChI
InChI=1S/C17H19NO3S/c1-11-9-12(2)17(13(3)10-11)18-22(20,21)16-7-5-15(6-8-16)14(4)19/h5-10,18H,1-4H3
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InChIKey
ZVJSSNDOFVJGBQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.61526
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
63.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 8190702
ChEMBL ID
CHEMBL3311316
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 = 7943.28 nM
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