General Information of the Compound
Compound ID
CP0133966
Compound Name
5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
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Structure
Formula
C21H23ClN8
Molecular Weight
422.924
Canonical SMILES
Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
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InChI
InChI=1S/C21H23ClN8/c1-13-19(14(2)30(28-13)15-6-8-23-9-7-15)26-21-24-12-17(22)20(27-21)16-11-25-29-10-4-3-5-18(16)29/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,24,26,27)
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InChIKey
YAZNPWINUJRGSE-UHFFFAOYSA-N
Physicochemical Property
logP
3.92614
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
84.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 127050851
ChEMBL ID
CHEMBL3824296
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 24000 nM
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