General Information of the Compound
Compound ID
CP0531281
Compound Name
3-[(4-methoxyphenyl)methoxy]-1H-indazole
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Structure
Formula
C15H14N2O2
Molecular Weight
254.289
Canonical SMILES
COc1ccc(COc2n[nH]c3ccccc23)cc1
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InChI
InChI=1S/C15H14N2O2/c1-18-12-8-6-11(7-9-12)10-19-15-13-4-2-3-5-14(13)16-17-15/h2-9H,10H2,1H3,(H,16,17)
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InChIKey
FVBRDUUGVUHMON-UHFFFAOYSA-N
Physicochemical Property
logP
3.1505
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
47.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 154487474
ChEMBL ID
CHEMBL4786935
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 = 21000 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 = 4500 nM
   TI
   LI
   LO
   TS