General Information of the Compound
Compound ID
CP0410267
Compound Name
5,6-bis(4-methylphenyl)-N-(2-morpholin-4-ylethyl)pyridazine-3-sulfonamide
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Structure
Formula
C24H28N4O3S
Molecular Weight
452.58
Canonical SMILES
Cc1ccc(cc1)-c1cc(nnc1-c1ccc(C)cc1)S(=O)(=O)NCCN1CCOCC1
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InChI
InChI=1S/C24H28N4O3S/c1-18-3-7-20(8-4-18)22-17-23(26-27-24(22)21-9-5-19(2)6-10-21)32(29,30)25-11-12-28-13-15-31-16-14-28/h3-10,17,25H,11-16H2,1-2H3
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InChIKey
BJUAOWCLBOQTJM-UHFFFAOYSA-N
Physicochemical Property
logP
3.03794
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
84.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 145976995
ChEMBL ID
CHEMBL4202650
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