General Information of the Compound
Compound ID
CP0153132
Compound Name
3-(cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
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Structure
Formula
C21H30N2O
Molecular Weight
326.484
Canonical SMILES
C(Oc1nn(CC2CCCCC2)c2ccccc12)C1CCCCC1
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InChI
InChI=1S/C21H30N2O/c1-3-9-17(10-4-1)15-23-20-14-8-7-13-19(20)21(22-23)24-16-18-11-5-2-6-12-18/h7-8,13-14,17-18H,1-6,9-12,15-16H2
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InChIKey
AVHMZIMFLFDTIN-UHFFFAOYSA-N
Physicochemical Property
logP
5.5757
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
27.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 76321622
ChEMBL ID
CHEMBL3116278
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 = 200 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 = 1300 nM
   TI
   LI
   LO
   TS