General Information of the Compound
Compound ID
CP0523080
Compound Name
3-methoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
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Structure
Formula
C23H19N3O2
Molecular Weight
369.424
Canonical SMILES
COc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C23H19N3O2/c1-28-20-14-8-11-18(15-20)23(27)24-22-16-21(17-9-4-2-5-10-17)25-26(22)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27)
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InChIKey
GCBGMFFPAAZMON-UHFFFAOYSA-N
Physicochemical Property
logP
4.8002
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
56.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 11710424
SID: 16815266
ChEMBL ID
CHEMBL210572
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1290 nM
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