General Information of the Compound
Compound ID
CP0432135
Compound Name
N-cycloheptyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
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Structure
Formula
C19H29N3O3
Molecular Weight
347.459
Canonical SMILES
O=C(NC1CCCCCC1)c1cccn(CCN2CCOCC2)c1=O
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InChI
InChI=1S/C19H29N3O3/c23-18(20-16-6-3-1-2-4-7-16)17-8-5-9-22(19(17)24)11-10-21-12-14-25-15-13-21/h5,8-9,16H,1-4,6-7,10-15H2,(H,20,23)
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InChIKey
GGGNHVNLXDRYCH-UHFFFAOYSA-N
Physicochemical Property
logP
1.6331
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
63.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 60145663
SID: 143488830
ChEMBL ID
CHEMBL2022699
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 = 950 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 = 790 nM
   TI
   LI
   LO
   TS