General Information of the Compound
| Compound ID |
CP0447109
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,5-difluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30F2N2O3S
|
||||||||||||||||||
| Molecular Weight |
464.578
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cc(F)ccc2F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30F2N2O3S/c1-16(2)17-4-3-5-22(12-17)31-11-10-28-20-7-8-21(28)15-19(14-20)27-32(29,30)24-13-18(25)6-9-23(24)26/h3-6,9,12-13,16,19-21,27H,7-8,10-11,14-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFJVMLMUWXZLQN-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7