General Information of the Compound
Compound ID
CP0256129
Compound Name
naphthalen-1-yl-(4-pentoxynaphthalen-1-yl)methanone
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Structure
Formula
C26H24O2
Molecular Weight
368.476
Canonical SMILES
CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
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InChI
InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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InChIKey
RSUMDJRTAFBISX-UHFFFAOYSA-N
Physicochemical Property
logP
6.793
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
26.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 9799417
SID: 14755215
ChEMBL ID
CHEMBL244403
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)  4
1
EC50 = 6.1 nM
   TI
   LI
   LO
   TS
2
EC50 = 73 nM
   TI
   LI
   LO
   TS
3
IC50 = 15 nM
   TI
   LI
   LO
   TS
4
Ki = 35 nM
   TI
   LI
   LO
   TS
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
EC50 = 72 nM
   TI
   LI
   LO
   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)  2
1
EC50 = 27.9 nM
   TI
   LI
   LO
   TS
2
IC50 = 98 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 19 nM