General Information of the Compound
Compound ID
CP0540769
Compound Name
N-[3-[(3-methoxybenzoyl)amino]cyclohexyl]pyridine-2-carboxamide
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Structure
Formula
C20H23N3O3
Molecular Weight
353.422
Canonical SMILES
COc1cccc(c1)C(=O)NC1CCCC(C1)NC(=O)c1ccccn1
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InChI
InChI=1S/C20H23N3O3/c1-26-17-9-4-6-14(12-17)19(24)22-15-7-5-8-16(13-15)23-20(25)18-10-2-3-11-21-18/h2-4,6,9-12,15-16H,5,7-8,13H2,1H3,(H,22,24)(H,23,25)
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InChIKey
CLXRPRPXESZNAC-UHFFFAOYSA-N
Physicochemical Property
logP
2.5612
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
80.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 71561073
SID: 163561351
ChEMBL ID
CHEMBL2338593
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
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