General Information of the Compound
Compound ID
CP0408679
Compound Name
5,6-bis(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridazine-3-sulfonamide
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Structure
Formula
C28H35N3O2S
Molecular Weight
477.674
Canonical SMILES
CC(C)C1CCC(C)CC1NS(=O)(=O)c1cc(-c2ccc(C)cc2)c(nn1)-c1ccc(C)cc1
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InChI
InChI=1S/C28H35N3O2S/c1-18(2)24-15-10-21(5)16-26(24)31-34(32,33)27-17-25(22-11-6-19(3)7-12-22)28(30-29-27)23-13-8-20(4)9-14-23/h6-9,11-14,17-18,21,24,26,31H,10,15-16H2,1-5H3
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InChIKey
ZKNAWPNZZDYVBQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.16654
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
71.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 145976515
ChEMBL ID
CHEMBL4203335
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 > 10000 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