General Information of the Compound
Compound ID
CP0522722
Compound Name
N-(2-methoxy-1-phenylethyl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
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Structure
Formula
C26H28N4O2
Molecular Weight
428.536
Canonical SMILES
COCC(NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C)c1ccccc1
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InChI
InChI=1S/C26H28N4O2/c1-17(2)19-10-12-20(13-11-19)23-15-28-30-18(3)22(14-27-25(23)30)26(31)29-24(16-32-4)21-8-6-5-7-9-21/h5-15,17,24H,16H2,1-4H3,(H,29,31)
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InChIKey
WZNPDANXKTZOLY-UHFFFAOYSA-N
Physicochemical Property
logP
4.94562
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
68.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 44579779
ChEMBL ID
CHEMBL489787
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: PT01282, Hydroxycarboxylic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1900 nM
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