General Information of the Compound
Compound ID
CP0472712
Compound Name
5-methyl-1-[(5-methyl-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
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Structure
Formula
C20H18N4O2
Molecular Weight
346.39
Canonical SMILES
Cc1cc(nn1Cc1cc(C)cc2cc(nn12)-c1ccccc1)C(O)=O
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InChI
InChI=1S/C20H18N4O2/c1-13-8-16-11-18(15-6-4-3-5-7-15)22-24(16)17(9-13)12-23-14(2)10-19(21-23)20(25)26/h3-11H,12H2,1-2H3,(H,25,26)
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InChIKey
OCJUAXMHOFCFIC-UHFFFAOYSA-N
Physicochemical Property
logP
3.56114
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
72.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 137653807
ChEMBL ID
CHEMBL4095087
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 = 450 nM
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