General Information of the Compound
Compound ID
CP0278839
Compound Name
4-Chloro-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide
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Structure
Formula
C22H16ClN3O
Molecular Weight
373.843
Canonical SMILES
Clc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C22H16ClN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)
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InChIKey
ATESSTJCVXDGTE-UHFFFAOYSA-N
Physicochemical Property
logP
5.445
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: 342596
SID: 16513970
ChEMBL ID
CHEMBL363062
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 = 20 nM
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