General Information of the Compound
Compound ID
CP0438788
Compound Name
N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
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Structure
Formula
C18H20N6O
Molecular Weight
336.399
Canonical SMILES
CC(C)COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
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InChI
InChI=1S/C18H20N6O/c1-11(2)10-25-18-13-7-6-12(9-15(13)24(3)23-18)20-17-16-14(21-22-17)5-4-8-19-16/h4-9,11H,10H2,1-3H3,(H2,20,21,22)
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InChIKey
NVYIGPPKIZFCPM-UHFFFAOYSA-N
Physicochemical Property
logP
3.623
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
80.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 134192062
ChEMBL ID
CHEMBL4238603
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 = 231 nM
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