General Information of the Compound
Compound ID
CP0368722
Compound Name
4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine
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Structure
Formula
C28H27NO
Molecular Weight
393.53
Canonical SMILES
C(CC1=C\C(=C/c2ccc3CCc4cccc2c34)c2ccccc12)N1CCOCC1
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InChI
InChI=1S/C28H27NO/c1-2-6-26-24(19-23(25(26)5-1)12-13-29-14-16-30-17-15-29)18-22-11-10-21-9-8-20-4-3-7-27(22)28(20)21/h1-7,10-11,18-19H,8-9,12-17H2/b24-18+
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InChIKey
RKYUFHBUGWOTFU-HKOYGPOVSA-N
Physicochemical Property
logP
5.5983
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 72950873
ChEMBL ID
CHEMBL4550629
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 594 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4.22 nM