General Information of the Compound
Compound ID
CP0428363
Compound Name
7-cyclopropyl-1-(2,4-dichlorophenyl)-N-piperidin-1-ylbenzo[g]indazole-3-carboxamide
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Structure
Formula
C26H24Cl2N4O
Molecular Weight
479.411
Canonical SMILES
Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2ccc3cc(ccc3c12)C1CC1
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InChI
InChI=1S/C26H24Cl2N4O/c27-19-8-11-23(22(28)15-19)32-25-20-9-6-17(16-4-5-16)14-18(20)7-10-21(25)24(29-32)26(33)30-31-12-2-1-3-13-31/h6-11,14-16H,1-5,12-13H2,(H,30,33)
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InChIKey
NHAXEIJCSQLMSA-UHFFFAOYSA-N
Physicochemical Property
logP
6.4936
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 127029928
ChEMBL ID
CHEMBL3780775
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 > 40000 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 = 825 nM
   TI
   LI
   LO
   TS