General Information of the Compound
Compound ID
CP0570334
Compound Name
6-[(6-chloro-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
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Structure
Formula
C18H17ClN4O3
Molecular Weight
372.812
Canonical SMILES
OC(=O)c1cccc(Cc2c(nn3cc(Cl)ccc23)N2CCOCC2)n1
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InChI
InChI=1S/C18H17ClN4O3/c19-12-4-5-16-14(10-13-2-1-3-15(20-13)18(24)25)17(21-23(16)11-12)22-6-8-26-9-7-22/h1-5,11H,6-10H2,(H,24,25)
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InChIKey
QCFWGHNLXRWDPA-UHFFFAOYSA-N
Physicochemical Property
logP
2.5083
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
79.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 86704880
ChEMBL ID
CHEMBL4075206
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 = 740 nM
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