General Information of the Compound
Compound ID
CP0554352
Compound Name
N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine
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Structure
Formula
C17H16N6
Molecular Weight
304.357
Canonical SMILES
Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4ncccc34)cc12
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InChI
InChI=1S/C17H16N6/c1-23-14-9-11(6-7-12(14)15(22-23)10-4-5-10)19-17-13-3-2-8-18-16(13)20-21-17/h2-3,6-10H,4-5H2,1H3,(H2,18,19,20,21)
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InChIKey
BOBGBFGRCGCNSE-UHFFFAOYSA-N
Physicochemical Property
logP
3.4656
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
71.42
Hydrogen Bond Donor Count
2
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: 134191938
ChEMBL ID
CHEMBL4241489
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 = 43.2 nM
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