General Information of the Compound
Compound ID
CP0131596
Compound Name
N-(3-chloro-4-phthalimido-phenyl)picolinamide
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Structure
Formula
C20H12ClN3O3
Molecular Weight
377.787
Canonical SMILES
Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2ccccc2C1=O
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InChI
InChI=1S/C20H12ClN3O3/c21-15-11-12(23-18(25)16-7-3-4-10-22-16)8-9-17(15)24-19(26)13-5-1-2-6-14(13)20(24)27/h1-11H,(H,23,25)
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InChIKey
BXCSFHHEMVAIFH-UHFFFAOYSA-N
Physicochemical Property
logP
3.7879
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
79.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 45110131
SID: 92299041
ChEMBL ID
CHEMBL1727966
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 = 59.4 nM
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