General Information of the Compound
Compound ID
CP0051827
Compound Name
8-Methyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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Structure
Formula
C26H34N2O2
Molecular Weight
406.57
Canonical SMILES
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(C)c12
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InChI
InChI=1S/C26H34N2O2/c1-3-4-5-9-28-16-22(24(29)21-8-6-7-17(2)23(21)28)25(30)27-26-13-18-10-19(14-26)12-20(11-18)15-26/h6-8,16,18-20H,3-5,9-15H2,1-2H3,(H,27,30)
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InChIKey
BDNAVNHHUCPGAB-UHFFFAOYSA-N
Physicochemical Property
logP
5.19872
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
51.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 51042138
ChEMBL ID
CHEMBL1668518
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 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki > 10000 nM
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 = 0.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4.9 nM