General Information of the Compound
Compound ID
CP0666655
Compound Name
3-(1-Naphthylmethoxy)-1-(1-naphthylmethyl)indazole
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Structure
Formula
C29H22N2O
Molecular Weight
414.508
Canonical SMILES
c1ccc2c(COc3nn(Cc4cccc5ccccc45)c4ccccc34)cccc2c1
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InChI
InChI=1S/C29H22N2O/c1-3-15-25-21(9-1)11-7-13-23(25)19-31-28-18-6-5-17-27(28)29(30-31)32-20-24-14-8-12-22-10-2-4-16-26(22)24/h1-18H,19-20H2
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InChIKey
OFOSJBGHHQNQQX-UHFFFAOYSA-N
Physicochemical Property
logP
6.97
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
27.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
32

"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: 76336093
ChEMBL ID
CHEMBL3116285
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
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS