General Information of the Compound
Compound ID
CP0433932
Compound Name
N-(cyclobutylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
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Structure
Formula
C22H21N3O2
Molecular Weight
359.429
Canonical SMILES
O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12
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InChI
InChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)
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InChIKey
PIHTTXCYHKHTJB-UHFFFAOYSA-N
Physicochemical Property
logP
4.017
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
71.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 11494221
SID: 16596145
ChEMBL ID
CHEMBL2316397
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 = 23 nM
   TI
   LI
   LO
   TS
2
IC50 = 6.1 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 = 26 nM
   TI
   LI
   LO
   TS