General Information of the Compound
Compound ID
CP0523133
Compound Name
1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid
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Structure
Formula
C21H19ClN4O2
Molecular Weight
394.862
Canonical SMILES
CCCc1cc(nn1Cc1cc(Cl)cc2cc(nn12)-c1ccccc1)C(O)=O
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InChI
InChI=1S/C21H19ClN4O2/c1-2-6-16-11-20(21(27)28)23-25(16)13-18-10-15(22)9-17-12-19(24-26(17)18)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,27,28)
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InChIKey
UQEKDCOWURSVLN-UHFFFAOYSA-N
Physicochemical Property
logP
4.5502
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
72.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 72950605
ChEMBL ID
CHEMBL4096952
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 = 97 nM
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