General Information of the Compound
Compound ID
CP0560530
Compound Name
N-(2,4-dimethylphenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
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Formula
C18H22N6
Molecular Weight
322.416
Canonical SMILES
Cc1ccc(Nc2cc(nc3ccnn23)N2CCNCC2)c(C)c1
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InChI
InChI=1S/C18H22N6/c1-13-3-4-15(14(2)11-13)21-18-12-17(23-9-7-19-8-10-23)22-16-5-6-20-24(16)18/h3-6,11-12,19,21H,7-10H2,1-2H3
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InChIKey
UGVYSHQCGDCJPR-UHFFFAOYSA-N
Physicochemical Property
logP
2.49934
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
57.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
24

"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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ChEMBL ID
CHEMBL4752835
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: PT00907, Dipeptidyl peptidase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000034 Caco-2 Homo sapiens (Human)  1
1
IC50 = 1600 nM
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