General Information of the Compound
Compound ID
CP0432679
Compound Name
1-[(5-cyano-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
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Structure
Formula
C20H15N5O2
Molecular Weight
357.373
Canonical SMILES
Cc1cc(nn1Cc1cc(cc2cc(nn12)-c1ccccc1)C#N)C(O)=O
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InChI
InChI=1S/C20H15N5O2/c1-13-7-19(20(26)27)22-24(13)12-17-9-14(11-21)8-16-10-18(23-25(16)17)15-5-3-2-4-6-15/h2-10H,12H2,1H3,(H,26,27)
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InChIKey
RKYQCDRFPQMDDM-UHFFFAOYSA-N
Physicochemical Property
logP
3.1244
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
96.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 137640239
ChEMBL ID
CHEMBL4071137
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 = 1000 nM
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