General Information of the Compound
Compound ID
CP0506124
Compound Name
N-(4-bromo-3-methylphenyl)furan-2-carboxamide
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Structure
Formula
C12H10BrNO2
Molecular Weight
280.121
Canonical SMILES
Cc1cc(NC(=O)c2ccco2)ccc1Br
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InChI
InChI=1S/C12H10BrNO2/c1-8-7-9(4-5-10(8)13)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15)
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InChIKey
CTVURADERWLPDV-UHFFFAOYSA-N
Physicochemical Property
logP
3.60282
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 780819
ChEMBL ID
CHEMBL558088
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 > 5000 nM
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