General Information of the Compound
Compound ID
CP0868455
Compound Name
(R)-Spiro[2.5]octan-1-yl(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)methanone
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Structure
Formula
C23H29NO2
Molecular Weight
351.49
Canonical SMILES
O=C(c1cn(CC2CCOCC2)c2ccccc12)[C@@H]1CC12CCCCC2
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InChI
InChI=1S/C23H29NO2/c25-22(20-14-23(20)10-4-1-5-11-23)19-16-24(15-17-8-12-26-13-9-17)21-7-3-2-6-18(19)21/h2-3,6-7,16-17,20H,1,4-5,8-15H2/t20-/m0/s1
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InChIKey
UFZQKWQOEXXMRC-FQEVSTJZSA-N
Physicochemical Property
logP
5.221
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
31.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 44628087
SID: 87555273
ChEMBL ID
CHEMBL3085420
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 = 14 nM
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