General Information of the Compound
Compound ID
CP0535526
Compound Name
N-(3,4-dichlorophenyl)-5-phenylfuran-2-carboxamide
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Structure
Formula
C17H11Cl2NO2
Molecular Weight
332.186
Canonical SMILES
Clc1ccc(NC(=O)c2ccc(o2)-c2ccccc2)cc1Cl
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InChI
InChI=1S/C17H11Cl2NO2/c18-13-7-6-12(10-14(13)19)20-17(21)16-9-8-15(22-16)11-4-2-1-3-5-11/h1-10H,(H,20,21)
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InChIKey
BJNGUNJQGGSHNX-UHFFFAOYSA-N
Physicochemical Property
logP
5.5057
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 44191097
SID: 85186797
ChEMBL ID
CHEMBL549670
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: PT02199, Metabotropic glutamate receptor 4
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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