General Information of the Compound
Compound ID
CP0865274
Compound Name
[2-methyl-1-(2-morpholin-4-ylethyl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone hydrochloride
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Structure
Formula
C23H33ClN2O2
Molecular Weight
404.982
Canonical SMILES
Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCN1CCOCC1.Cl
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InChI
InChI=1S/C23H32N2O2.ClH/c1-16-19(20(26)21-22(2,3)23(21,4)5)17-8-6-7-9-18(17)25(16)11-10-24-12-14-27-15-13-24;/h6-9,21H,10-15H2,1-5H3;1H
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InChIKey
BMGYPKGUPADDSX-UHFFFAOYSA-N
Physicochemical Property
logP
4.56862
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 49861285
ChEMBL ID
CHEMBL1203961
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 = 227 nM
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