General Information of the Compound
Compound ID
CP0462235
Compound Name
3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)benzotriazol-5-amine
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Structure
Formula
C13H11N7
Molecular Weight
265.28
Canonical SMILES
Cn1nnc2ccc(Nc3n[nH]c4cccnc34)cc12
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InChI
InChI=1S/C13H11N7/c1-20-11-7-8(4-5-9(11)17-19-20)15-13-12-10(16-18-13)3-2-6-14-12/h2-7H,1H3,(H2,15,16,18)
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InChIKey
APSUVHKHPGHZAV-UHFFFAOYSA-N
Physicochemical Property
logP
1.9832
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
84.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 145982965
ChEMBL ID
CHEMBL4237744
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 = 1430 nM
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