General Information of the Compound
Compound ID
CP0272651
Compound Name
N-(2,5-diphenylpyrazol-3-yl)-2-methylbenzamide
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Structure
Formula
C23H19N3O
Molecular Weight
353.425
Canonical SMILES
Cc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C23H19N3O/c1-17-10-8-9-15-20(17)23(27)24-22-16-21(18-11-4-2-5-12-18)25-26(22)19-13-6-3-7-14-19/h2-16H,1H3,(H,24,27)
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InChIKey
JLAXNBIOXSQCMT-UHFFFAOYSA-N
Physicochemical Property
logP
5.10002
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 11221928
SID: 16305136
ChEMBL ID
CHEMBL190084
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 > 10000 nM
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