General Information of the Compound
Compound ID
CP0155560
Compound Name
3-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methyl]indazole
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Structure
Formula
C23H22N2O3
Molecular Weight
374.44
Canonical SMILES
COc1ccc(COc2nn(Cc3ccc(OC)cc3)c3ccccc23)cc1
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InChI
InChI=1S/C23H22N2O3/c1-26-19-11-7-17(8-12-19)15-25-22-6-4-3-5-21(22)23(24-25)28-16-18-9-13-20(27-2)14-10-18/h3-14H,15-16H2,1-2H3
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InChIKey
GSTMDKTUYLEMNX-UHFFFAOYSA-N
Physicochemical Property
logP
4.6808
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
45.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 51357040
SID: 121276142
ChEMBL ID
CHEMBL3116281
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 = 2400 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 = 900 nM
   TI
   LI
   LO
   TS