General Information of the Compound
Compound ID
CP0558162
Compound Name
5,6-bis(4-methylphenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-sulfonamide
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Structure
Formula
C28H33N3O2S
Molecular Weight
475.658
Canonical SMILES
Cc1ccc(cc1)-c1cc(nnc1-c1ccc(C)cc1)S(=O)(=O)NC1CC2CCC1(C)C2(C)C
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InChI
InChI=1S/C28H33N3O2S/c1-18-6-10-20(11-7-18)23-17-25(29-30-26(23)21-12-8-19(2)9-13-21)34(32,33)31-24-16-22-14-15-28(24,5)27(22,3)4/h6-13,17,22,24,31H,14-16H2,1-5H3
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InChIKey
XVNQDGHURDLOQP-UHFFFAOYSA-N
Physicochemical Property
logP
5.92054
Rotatable Bonds
5
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: 145973984
ChEMBL ID
CHEMBL4216812
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 = 1286 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