General Information of the Compound
Compound ID
CP0415237
Compound Name
7-cyclopropyl-1-(2,4-dichlorophenyl)-N-pyrrolidin-1-ylbenzo[g]indazole-3-carboxamide
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Structure
Formula
C25H22Cl2N4O
Molecular Weight
465.384
Canonical SMILES
Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2ccc3cc(ccc3c12)C1CC1
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InChI
InChI=1S/C25H22Cl2N4O/c26-18-7-10-22(21(27)14-18)31-24-19-8-5-16(15-3-4-15)13-17(19)6-9-20(24)23(28-31)25(32)29-30-11-1-2-12-30/h5-10,13-15H,1-4,11-12H2,(H,29,32)
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InChIKey
DKXALUWKQJKLPW-UHFFFAOYSA-N
Physicochemical Property
logP
6.1035
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 127030422
ChEMBL ID
CHEMBL3780124
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 > 40000 nM
   TI
   LI
   LO
   TS