General Information of the Compound
Compound ID
CP0431439
Compound Name
N-(3,4-dichlorophenyl)-1-methylpyrrole-2-carboxamide
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Structure
Formula
C12H10Cl2N2O
Molecular Weight
269.131
Canonical SMILES
Cn1cccc1C(=O)Nc1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C12H10Cl2N2O/c1-16-6-2-3-11(16)12(17)15-8-4-5-9(13)10(14)7-8/h2-7H,1H3,(H,15,17)
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InChIKey
FQRDINXIBALEKR-UHFFFAOYSA-N
Physicochemical Property
logP
3.5842
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 2318321
SID: 85186799
ChEMBL ID
CHEMBL552558
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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