General Information of the Compound
Compound ID
CP0398538
Compound Name
(1-((Tetrahydrofuran-3-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
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Structure
Formula
C21H27NO2
Molecular Weight
325.452
Canonical SMILES
CC1(C)C(C(=O)c2cn(CC3CCOC3)c3ccccc23)C1(C)C
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InChI
InChI=1S/C21H27NO2/c1-20(2)19(21(20,3)4)18(23)16-12-22(11-14-9-10-24-13-14)17-8-6-5-7-15(16)17/h5-8,12,14,19H,9-11,13H2,1-4H3
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InChIKey
RKJJVEGZZUFFPU-UHFFFAOYSA-N
Physicochemical Property
logP
4.5427
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
31.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 11529923
SID: 16631970
ChEMBL ID
CHEMBL569994
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 6 nM
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