General Information of the Compound
Compound ID
CP0477185
Compound Name
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-2-[3-(4-methoxybenzoyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]oxyacetamide
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Structure
Formula
C32H42N4O8
Molecular Weight
610.708
Canonical SMILES
COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCC(=O)NCCOCCOCCNC(C)=O)cc12
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InChI
InChI=1S/C32H42N4O8/c1-24(37)33-9-15-41-19-20-42-16-10-34-31(38)23-44-27-7-8-30-28(21-27)29(32(39)25-3-5-26(40-2)6-4-25)22-36(30)12-11-35-13-17-43-18-14-35/h3-8,21-22H,9-20,23H2,1-2H3,(H,33,37)(H,34,38)
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InChIKey
GHBKCNNJAWKRNT-UHFFFAOYSA-N
Physicochemical Property
logP
1.8774
Rotatable Bonds
18
Heavy Atom Count
44
Polar Areas
129.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Complexity
44

"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: 145983927
ChEMBL ID
CHEMBL4277100
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
Ki > 10000 nM
   TI
   LI
   LO
   TS