General Information of the Compound
Compound ID
CP0880898
Compound Name
(R)-(1-(2-Morpholinoethyl)-1H-indol-3-yl)(spiro[2.5]octan-1-yl)-methanone
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Structure
Formula
C23H30N2O2
Molecular Weight
366.505
Canonical SMILES
O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@@H]1CC12CCCCC2
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InChI
InChI=1S/C23H30N2O2/c26-22(20-16-23(20)8-4-1-5-9-23)19-17-25(21-7-3-2-6-18(19)21)11-10-24-12-14-27-15-13-24/h2-3,6-7,17,20H,1,4-5,8-16H2/t20-/m0/s1
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InChIKey
MUBBINBGCICILP-FQEVSTJZSA-N
Physicochemical Property
logP
4.1266
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 44627984
SID: 87555175
ChEMBL ID
CHEMBL3085421
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 = 42 nM
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