General Information of the Compound
Compound ID
CP0392926
Compound Name
N-[3-chloro-4-(5-chloropyridin-2-yl)oxyphenyl]pyridine-2-carboxamide
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Structure
Formula
C17H11Cl2N3O2
Molecular Weight
360.2
Canonical SMILES
Clc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2Cl)nc1
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InChI
InChI=1S/C17H11Cl2N3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14/h1-10H,(H,22,23)
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InChIKey
MZRLPXFGQKQHST-UHFFFAOYSA-N
Physicochemical Property
logP
4.828
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
64.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 73058507
ChEMBL ID
CHEMBL4162576
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 = 108 nM
   TI
   LI
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   TS
Protein ID: PT03457, Metabotropic glutamate receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 146 nM
   TI
   LI
   LO
   TS
Protein ID: PT04980, Metabotropic glutamate receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 125 nM
   TI
   LI
   LO
   TS