General Information of the Compound
Compound ID
CP0569200
Compound Name
6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
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Structure
Formula
C18H12ClN3O2S
Molecular Weight
369.833
Canonical SMILES
OC(=O)c1cccc(Cc2c(nn3cc(Cl)ccc23)-c2ccsc2)n1
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InChI
InChI=1S/C18H12ClN3O2S/c19-12-4-5-16-14(8-13-2-1-3-15(20-13)18(23)24)17(21-22(16)9-12)11-6-7-25-10-11/h1-7,9-10H,8H2,(H,23,24)
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InChIKey
AKWLYOAQGIIADE-UHFFFAOYSA-N
Physicochemical Property
logP
4.4002
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
67.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 123776027
ChEMBL ID
CHEMBL4078135
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 = 110 nM
   TI
   LI
   LO
   TS