General Information of the Compound
Compound ID
CP0438286
Compound Name
2-[4-[2-(2,6-dichloropyridin-4-yl)ethynyl]phenyl]cyclopropane-1-carboxylic acid
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Structure
Formula
C17H11Cl2NO2
Molecular Weight
332.186
Canonical SMILES
OC(=O)C1CC1c1ccc(cc1)C#Cc1cc(Cl)nc(Cl)c1
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InChI
InChI=1S/C17H11Cl2NO2/c18-15-7-11(8-16(19)20-15)2-1-10-3-5-12(6-4-10)13-9-14(13)17(21)22/h3-8,13-14H,9H2,(H,21,22)
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InChIKey
WFWPUSGERNZBOW-UHFFFAOYSA-N
Physicochemical Property
logP
3.9763
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
50.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 56680363
ChEMBL ID
CHEMBL1829172
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
EC50 = 42.66 nM
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