General Information of the Compound
Compound ID
CP0230516
Compound Name
N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
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Structure
Formula
C17H19NO2S
Molecular Weight
301.411
Canonical SMILES
Cc1ccc(OCC(=O)N(Cc2cccs2)C2CC2)cc1
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InChI
InChI=1S/C17H19NO2S/c1-13-4-8-15(9-5-13)20-12-17(19)18(14-6-7-14)11-16-3-2-10-21-16/h2-5,8-10,14H,6-7,11-12H2,1H3
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InChIKey
FZSFDTMPRZYMKF-UHFFFAOYSA-N
Physicochemical Property
logP
3.62652
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
29.54
Hydrogen Bond Donor Count
0
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: 67510848
ChEMBL ID
CHEMBL4071703
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 8 nM
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