General Information of the Compound
Compound ID
CP0443537
Compound Name
5-bromo-N-cycloheptyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
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Structure
Formula
C19H28BrN3O3
Molecular Weight
426.355
Canonical SMILES
Brc1cc(C(=O)NC2CCCCCC2)c(=O)n(CCN2CCOCC2)c1
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InChI
InChI=1S/C19H28BrN3O3/c20-15-13-17(18(24)21-16-5-3-1-2-4-6-16)19(25)23(14-15)8-7-22-9-11-26-12-10-22/h13-14,16H,1-12H2,(H,21,24)
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InChIKey
BGIRTFQKCXMFOC-UHFFFAOYSA-N
Physicochemical Property
logP
2.3956
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
63.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 76314157
ChEMBL ID
CHEMBL3114179
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 = 243 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 = 65 nM
   TI
   LI
   LO
   TS