General Information of the Compound
Compound ID
CP0475870
Compound Name
3-[(6-chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoic acid
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Structure
Formula
C21H15ClN2O2
Molecular Weight
362.816
Canonical SMILES
OC(=O)c1cccc(Cc2c(nn3cc(Cl)ccc23)-c2ccccc2)c1
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InChI
InChI=1S/C21H15ClN2O2/c22-17-9-10-19-18(12-14-5-4-8-16(11-14)21(25)26)20(23-24(19)13-17)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,25,26)
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InChIKey
UWMVRDDUAYAKJI-UHFFFAOYSA-N
Physicochemical Property
logP
4.9437
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
54.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 60151013
SID: 144081715
ChEMBL ID
CHEMBL4089536
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: PT05403, Prostaglandin E2 receptor EP1 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 29 nM
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