General Information of the Compound
Compound ID
CP0466741
Compound Name
7-(4-fluorophenyl)-2-[(2-methylpyridin-4-yl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
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Structure
Formula
C20H16FN5O2
Molecular Weight
377.379
Canonical SMILES
Cc1cc(OCc2cc3nc(cc(-c4ccc(F)cc4)n3n2)C(N)=O)ccn1
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InChI
InChI=1S/C20H16FN5O2/c1-12-8-16(6-7-23-12)28-11-15-9-19-24-17(20(22)27)10-18(26(19)25-15)13-2-4-14(21)5-3-13/h2-10H,11H2,1H3,(H2,22,27)
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InChIKey
HFHIADVTSSPSSG-UHFFFAOYSA-N
Physicochemical Property
logP
2.91672
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
95.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 155558515
ChEMBL ID
CHEMBL4567504
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
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