General Information of the Compound
Compound ID
CP0401547
Compound Name
[1-(oxan-4-ylmethyl)indol-3-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone
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Structure
Formula
C24H29NO2
Molecular Weight
363.501
Canonical SMILES
O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC1CC(C2)C3
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InChI
InChI=1S/C24H29NO2/c26-23(24-12-17-9-18(13-24)11-19(24)10-17)21-15-25(14-16-5-7-27-8-6-16)22-4-2-1-3-20(21)22/h1-4,15-19H,5-14H2
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InChIKey
WBROYFRREDXBEY-UHFFFAOYSA-N
Physicochemical Property
logP
5.0769
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
31.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 45486232
ChEMBL ID
CHEMBL571999
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 = 7 nM
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