General Information of the Compound
Compound ID
CP0526337
Compound Name
2-(1-((3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)methyl)cyclopropanecarboxamido)cyclohex-1-enecarboxylic acid
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Structure
Formula
C19H20N4O5
Molecular Weight
384.392
Canonical SMILES
OC(=O)C1=C(CCCC1)NC(=O)C1(Cc2nc(no2)-c2ccc(O)cn2)CC1
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InChI
InChI=1S/C19H20N4O5/c24-11-5-6-14(20-10-11)16-22-15(28-23-16)9-19(7-8-19)18(27)21-13-4-2-1-3-12(13)17(25)26/h5-6,10,24H,1-4,7-9H2,(H,21,27)(H,25,26)
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InChIKey
UNHFVKSTAUXQPS-UHFFFAOYSA-N
Physicochemical Property
logP
2.1888
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
138.44
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 135887285
SID: 93369793
ChEMBL ID
CHEMBL1086658
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: PT01282, Hydroxycarboxylic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
Ki = 11 nM
   TI
   LI
   LO
   TS
2
Ki = 9130 nM
   TI
   LI
   LO
   TS