General Information of the Compound
Compound ID
CP0443284
Compound Name
N-(cyclobutylmethyl)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
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Structure
Formula
C24H25N3O3
Molecular Weight
403.482
Canonical SMILES
COCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
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InChI
InChI=1S/C24H25N3O3/c1-30-15-17-11-12-20(19-9-3-2-8-18(17)19)23(28)27-21-10-5-13-25-22(21)24(29)26-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14-15H2,1H3,(H,26,29)(H,27,28)
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InChIKey
ZYXHCWAYPIYTQW-UHFFFAOYSA-N
Physicochemical Property
logP
4.1634
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
80.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 58973398
SID: 163545141
ChEMBL ID
CHEMBL2316406
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
CL000107 HEK293S Homo sapiens (Human)  2
1
EC50 = 5.9 nM
   TI
   LI
   LO
   TS
2
IC50 = 2000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 19 nM
   TI
   LI
   LO
   TS