General Information of the Compound
Compound ID
CP0501752
Compound Name
7-amino-1-benzyl-N-cyclohexyl-4-oxo-1,4-dihydro-1,8-naphthyridine-2-carboxamide
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Structure
Formula
C22H24N4O2
Molecular Weight
376.46
Canonical SMILES
Nc1ccc2c(n1)n(Cc1ccccc1)c(cc2=O)C(=O)NC1CCCCC1
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InChI
InChI=1S/C22H24N4O2/c23-20-12-11-17-19(27)13-18(22(28)24-16-9-5-2-6-10-16)26(21(17)25-20)14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16H,2,5-6,9-10,14H2,(H2,23,25)(H,24,28)
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InChIKey
SFVSRGOJALMAOY-UHFFFAOYSA-N
Physicochemical Property
logP
3.0895
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
90.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 44444737
ChEMBL ID
CHEMBL250965
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 = 5600 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 = 7900 nM
   TI
   LI
   LO
   TS