General Information of the Compound
Compound ID
CP0378554
Compound Name
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-naphthalen-1-ylmethanone
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Structure
Formula
C27H25NO3
Molecular Weight
411.501
Canonical SMILES
O=C(c1cccc2ccccc12)c1ccc(OCCN2CCOCC2)c2ccccc12
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InChI
InChI=1S/C27H25NO3/c29-27(24-11-5-7-20-6-1-2-8-21(20)24)25-12-13-26(23-10-4-3-9-22(23)25)31-19-16-28-14-17-30-18-15-28/h1-13H,14-19H2
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InChIKey
PXXPZNDUVLQCHY-UHFFFAOYSA-N
Physicochemical Property
logP
4.935
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 44427439
ChEMBL ID
CHEMBL244189
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1100 nM
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   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 11000 nM
   TI
   LI
   LO
   TS