General Information of the Compound
Compound ID
CP0359183
Compound Name
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-methylsulfonylpentanamide
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Structure
Formula
C16H25NO4S
Molecular Weight
327.446
Canonical SMILES
Cc1ccc(C)c(OCCCC(C)(C)C(=O)NS(C)(=O)=O)c1
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InChI
InChI=1S/C16H25NO4S/c1-12-7-8-13(2)14(11-12)21-10-6-9-16(3,4)15(18)17-22(5,19)20/h7-8,11H,6,9-10H2,1-5H3,(H,17,18)
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InChIKey
LIAFARAOHZXVAW-UHFFFAOYSA-N
Physicochemical Property
logP
2.56444
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
72.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 71451340
SID: 163539614
ChEMBL ID
CHEMBL2153843
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
EC50 = 7100 nM
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