General Information of the Compound
Compound ID
CP0443540
Compound Name
1-butyl-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
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Structure
Formula
C17H26N2O2
Molecular Weight
290.407
Canonical SMILES
CCCCn1cccc(C(=O)NC2CCC(C)CC2)c1=O
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InChI
InChI=1S/C17H26N2O2/c1-3-4-11-19-12-5-6-15(17(19)21)16(20)18-14-9-7-13(2)8-10-14/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,18,20)
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InChIKey
BTRLEVJMKJXOEY-UHFFFAOYSA-N
Physicochemical Property
logP
2.9569
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
51.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 76332282
ChEMBL ID
CHEMBL3114175
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1623 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 104 nM
   TI
   LI
   LO
   TS