General Information of the Compound
Compound ID
CP0391552
Compound Name
N-(benzenesulfonyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
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Structure
Formula
C23H20ClNO5S
Molecular Weight
457.935
Canonical SMILES
CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(=O)NS(=O)(=O)c1ccccc1
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InChI
InChI=1S/C23H20ClNO5S/c1-23(2,22(27)25-31(28,29)20-6-4-3-5-7-20)30-19-14-10-17(11-15-19)21(26)16-8-12-18(24)13-9-16/h3-15H,1-2H3,(H,25,27)
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InChIKey
QBOZJFMLNMFACS-UHFFFAOYSA-N
Physicochemical Property
logP
4.2335
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
89.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 127034102
ChEMBL ID
CHEMBL3781952
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: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 = 7650 nM
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