General Information of the Compound
Compound ID
CP0422828
Compound Name
N-cycloheptyl-5,6-bis(4-methylphenyl)pyridazine-3-sulfonamide
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Structure
Formula
C25H29N3O2S
Molecular Weight
435.593
Canonical SMILES
Cc1ccc(cc1)-c1cc(nnc1-c1ccc(C)cc1)S(=O)(=O)NC1CCCCCC1
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InChI
InChI=1S/C25H29N3O2S/c1-18-9-13-20(14-10-18)23-17-24(26-27-25(23)21-15-11-19(2)12-16-21)31(29,30)28-22-7-5-3-4-6-8-22/h9-17,22,28H,3-8H2,1-2H3
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InChIKey
JSPLSFGAJRVVLC-UHFFFAOYSA-N
Physicochemical Property
logP
5.42854
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
71.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 145972574
ChEMBL ID
CHEMBL4215999
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 = 800.4 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