General Information of the Compound
| Compound ID |
CP0485692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R*,4S*,6R*)-(+/-)-N-[4-(Benzyloxy)phenyl]-2-(butylsulfonyl)-2-azabicyclo[2.2.2]octane-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N2O4S
|
||||||||||||||||||
| Molecular Weight |
456.608
|
||||||||||||||||||
| Canonical SMILES |
CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](C2)C(=O)Nc1ccc(OCc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N2O4S/c1-2-3-15-32(29,30)27-17-20-9-14-24(27)23(16-20)25(28)26-21-10-12-22(13-11-21)31-18-19-7-5-4-6-8-19/h4-8,10-13,20,23-24H,2-3,9,14-18H2,1H3,(H,26,28)/t20-,23+,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CSIUYIIJGBLFLW-ZTCOLXNVSA-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