General Information of the Compound
Compound ID
CP0707815
Compound Name
5-Amino-3-(1-naphthylmethoxy)-1-(2-(pyrrolidin-1-yl)ethyl)indazole
    Show/Hide
Structure
Formula
C24H26N4O
Molecular Weight
386.499
Canonical SMILES
Nc1ccc2c(c1)c(OCc1cccc3ccccc13)nn2CCN1CCCC1
    Show/Hide
InChI
InChI=1S/C24H26N4O/c25-20-10-11-23-22(16-20)24(26-28(23)15-14-27-12-3-4-13-27)29-17-19-8-5-7-18-6-1-2-9-21(18)19/h1-2,5-11,16H,3-4,12-15,17,25H2
    Show/Hide
InChIKey
INOMZYFNGDZFSD-UHFFFAOYSA-N
Physicochemical Property
logP
4.4465
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
56.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 76325235
ChEMBL ID
CHEMBL3116299
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 = 11000 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 = 5000 nM
   TI
   LI
   LO
   TS