General Information of the Compound
| Compound ID |
CP0396186
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5,6-bis(4-methylphenyl)pyridazin-3-yl]sulfanyl-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33N3S
|
||||||||||||||||||
| Molecular Weight |
443.66
|
||||||||||||||||||
| Canonical SMILES |
CC1C2CC(CC1NSc1cc(-c3ccc(C)cc3)c(nn1)-c1ccc(C)cc1)C2(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N3S/c1-17-6-10-20(11-7-17)23-16-26(29-30-27(23)21-12-8-18(2)9-13-21)32-31-25-15-22-14-24(19(25)3)28(22,4)5/h6-13,16,19,22,24-25,31H,14-15H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QSZDREXELLZGMQ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT00834, Cannabinoid receptor 2