General Information of the Compound
Compound ID
CP0195805
Compound Name
2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic acid adamantan-1-ylamide
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Structure
Formula
C22H27N3O
Molecular Weight
349.478
Canonical SMILES
Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1
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InChI
InChI=1S/C22H27N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18H,8-13H2,1-2H3,(H,24,26)
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InChIKey
FNYGNFQUTXAHPS-UHFFFAOYSA-N
Physicochemical Property
logP
4.18774
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 11996213
SID: 17495358
ChEMBL ID
CHEMBL599071
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 4887 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4887 nM
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.7 nM