General Information of the Compound
Compound ID
CP0522361
Compound Name
1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
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Structure
Formula
C23H25N3O3
Molecular Weight
391.471
Canonical SMILES
COc1ccc2c(n1)n(Cc1ccccc1)cc(C(=O)NC1CCCCC1)c2=O
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InChI
InChI=1S/C23H25N3O3/c1-29-20-13-12-18-21(27)19(23(28)24-17-10-6-3-7-11-17)15-26(22(18)25-20)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3,(H,24,28)
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InChIKey
IBRGBURIIAWWKO-UHFFFAOYSA-N
Physicochemical Property
logP
3.5159
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
73.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 24873535
SID: 50128677
ChEMBL ID
CHEMBL250565
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 = 560 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 = 11 nM
   TI
   LI
   LO
   TS