General Information of the Compound
Compound ID
CP0471902
Compound Name
[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone
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Structure
Formula
C19H19N7O
Molecular Weight
361.409
Canonical SMILES
Cn1nc(C(=O)N2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12
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InChI
InChI=1S/C19H19N7O/c1-25-15-11-12(21-18-17-14(22-23-18)5-4-8-20-17)6-7-13(15)16(24-25)19(27)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H2,21,22,23)
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InChIKey
LOYPQZVPOZXXGP-UHFFFAOYSA-N
Physicochemical Property
logP
2.8242
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
91.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 134198072
ChEMBL ID
CHEMBL4248724
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 = 827 nM
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