General Information of the Compound
Compound ID
CP0484631
Compound Name
N-cycloheptyl-5-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
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Structure
Formula
C25H32FN3O3
Molecular Weight
441.547
Canonical SMILES
Fc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(CCN2CCOCC2)c1
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InChI
InChI=1S/C25H32FN3O3/c26-21-9-7-19(8-10-21)20-17-23(24(30)27-22-5-3-1-2-4-6-22)25(31)29(18-20)12-11-28-13-15-32-16-14-28/h7-10,17-18,22H,1-6,11-16H2,(H,27,30)
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InChIKey
QLYLQZDQDIQXQW-UHFFFAOYSA-N
Physicochemical Property
logP
3.4392
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
63.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 76335938
ChEMBL ID
CHEMBL3114342
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 = 2734 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 = 63 nM
   TI
   LI
   LO
   TS