General Information of the Compound
Compound ID
CP0472709
Compound Name
1-[(5-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
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Structure
Formula
C16H15ClN4O2
Molecular Weight
330.775
Canonical SMILES
Cc1cc(nn1Cc1cc(Cl)cc2cc(nn12)C1CC1)C(O)=O
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InChI
InChI=1S/C16H15ClN4O2/c1-9-4-15(16(22)23)18-20(9)8-13-6-11(17)5-12-7-14(10-2-3-10)19-21(12)13/h4-7,10H,2-3,8H2,1H3,(H,22,23)
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InChIKey
FIUGWCISHIFUBG-UHFFFAOYSA-N
Physicochemical Property
logP
3.11652
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
72.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 137647738
ChEMBL ID
CHEMBL4083777
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 = 180 nM
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