General Information of the Compound
Compound ID
CP0427457
Compound Name
1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid
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Structure
Formula
C16H17ClN4O2
Molecular Weight
332.791
Canonical SMILES
CC(C)c1cn2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cc2n1
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InChI
InChI=1S/C16H17ClN4O2/c1-9(2)14-8-20-12(5-11(17)6-15(20)18-14)7-21-10(3)4-13(19-21)16(22)23/h4-6,8-9H,7H2,1-3H3,(H,22,23)
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InChIKey
IFKCZJOICRGQGI-UHFFFAOYSA-N
Physicochemical Property
logP
3.36252
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: 57402583
ChEMBL ID
CHEMBL1915243
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: PT01205, Prostaglandin E2 receptor EP1 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
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