General Information of the Compound
Compound ID
CP0490334
Compound Name
N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
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Structure
Formula
C24H25N3O2
Molecular Weight
387.483
Canonical SMILES
O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1cccc2ccccc12
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InChI
InChI=1S/C24H25N3O2/c28-23(20-13-6-11-18-10-4-5-12-19(18)20)27-21-14-7-15-25-22(21)24(29)26-16-17-8-2-1-3-9-17/h4-7,10-15,17H,1-3,8-9,16H2,(H,26,29)(H,27,28)
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InChIKey
PBTDQKYISORJJJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.7972
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
71.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 11653936
SID: 16757459
ChEMBL ID
CHEMBL2316391
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 = 24 nM
   TI
   LI
   LO
   TS
2
IC50 = 10 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 = 110 nM
   TI
   LI
   LO
   TS