General Information of the Compound
Compound ID
CP0438789
Compound Name
N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
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Structure
Formula
C20H23N7O
Molecular Weight
377.452
Canonical SMILES
CN1CCC(CC1)Oc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
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InChI
InChI=1S/C20H23N7O/c1-26-10-7-14(8-11-26)28-20-15-6-5-13(12-17(15)27(2)25-20)22-19-18-16(23-24-19)4-3-9-21-18/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H2,22,23,24)
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InChIKey
AUHOJMFHOZABMV-UHFFFAOYSA-N
Physicochemical Property
logP
3.0612
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
83.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 134192002
ChEMBL ID
CHEMBL4244458
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1880 nM
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