General Information of the Compound
| Compound ID |
CP0415572
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[4-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H33NO5S
|
||||||||||||||||||
| Molecular Weight |
411.564
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCCCOc2ccc(cc2)S(C)(=O)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H33NO5S/c1-21(2,3)27-20(23)22-14-12-17(13-15-22)7-5-6-16-26-18-8-10-19(11-9-18)28(4,24)25/h8-11,17H,5-7,12-16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CSTPQDCIIJPTIW-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