General Information of the Compound
Compound ID
CP0382098
Compound Name
1-[2-(morpholin-4-yl)ethyl]-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-6-ol
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Structure
Formula
C22H30N2O3
Molecular Weight
370.493
Canonical SMILES
CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(O)ccc23)C1(C)C
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InChI
InChI=1S/C22H30N2O3/c1-21(2)20(22(21,3)4)19(26)17-14-24(8-7-23-9-11-27-12-10-23)18-13-15(25)5-6-16(17)18/h5-6,13-14,20,25H,7-12H2,1-4H3
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InChIKey
YKPXWJVHLHTGOJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.544
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
54.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 11696383
SID: 16800890
ChEMBL ID
CHEMBL271837
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)  2
1
EC50 = 186 nM
   TI
   LI
   LO
   TS
2
Ki = 109.65 nM
   TI
   LI
   LO
   TS