General Information of the Compound
Compound ID
CP0430732
Compound Name
3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)ethyl)oxazolidin-2-one
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Structure
Formula
C21H26N2O3
Molecular Weight
354.45
Canonical SMILES
CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
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InChI
InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
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InChIKey
QFKHXFSKJAJGEQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9584
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
51.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 11515910
SID: 16617898
ChEMBL ID
CHEMBL584742
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3593 nM
   TI
   LI
   LO
   TS
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 = 0.97 nM
   TI
   LI
   LO
   TS
2
EC50 = 2 nM
   TI
   LI
   LO
   TS