General Information of the Compound
Compound ID
CP0318828
Compound Name
N-(2,5-diphenylpyrazol-3-yl)pyrazine-2-carboxamide
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Structure
Formula
C20H15N5O
Molecular Weight
341.374
Canonical SMILES
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cnccn1
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InChI
InChI=1S/C20H15N5O/c26-20(18-14-21-11-12-22-18)23-19-13-17(15-7-3-1-4-8-15)24-25(19)16-9-5-2-6-10-16/h1-14H,(H,23,26)
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InChIKey
LWILQFQZBKEWQK-UHFFFAOYSA-N
Physicochemical Property
logP
3.5816
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
72.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 11382254
SID: 16476167
ChEMBL ID
CHEMBL188911
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 200 nM
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