General Information of the Compound
Compound ID
CP0268717
Compound Name
7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
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Structure
Formula
C14H10FN5O
Molecular Weight
283.266
Canonical SMILES
Cc1noc2c(F)cc(Nc3n[nH]c4cccnc34)cc12
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InChI
InChI=1S/C14H10FN5O/c1-7-9-5-8(6-10(15)13(9)21-20-7)17-14-12-11(18-19-14)3-2-4-16-12/h2-6H,1H3,(H2,17,18,19)
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InChIKey
ZYDFCUFZQFYWKO-UHFFFAOYSA-N
Physicochemical Property
logP
3.29022
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
79.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 134190227
ChEMBL ID
CHEMBL4459205
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: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 53 nM
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