General Information of the Compound
Compound ID
CP0477175
Compound Name
N-(8-aminooctyl)-2-[1-(2-morpholin-4-ylethyl)-3-(naphthalene-1-carbonyl)indol-5-yl]oxyacetamide
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Structure
Formula
C35H44N4O4
Molecular Weight
584.761
Canonical SMILES
NCCCCCCCCNC(=O)COc1ccc2n(CCN3CCOCC3)cc(C(=O)c3cccc4ccccc34)c2c1
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InChI
InChI=1S/C35H44N4O4/c36-16-7-3-1-2-4-8-17-37-34(40)26-43-28-14-15-33-31(24-28)32(25-39(33)19-18-38-20-22-42-23-21-38)35(41)30-13-9-11-27-10-5-6-12-29(27)30/h5-6,9-15,24-25H,1-4,7-8,16-23,26,36H2,(H,37,40)
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InChIKey
WLNBBLLIHSJPAH-UHFFFAOYSA-N
Physicochemical Property
logP
5.152
Rotatable Bonds
16
Heavy Atom Count
43
Polar Areas
98.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
43

"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: 145987214
ChEMBL ID
CHEMBL4293063
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