General Information of the Compound
| Compound ID |
CP0527087
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-methylpiperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H29NO2S
|
||||||||||||||||||
| Molecular Weight |
335.513
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CCCC2(CCC2)S(=O)(=O)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H29NO2S/c1-17-9-15-20(16-10-17)14-6-13-19(11-5-12-19)23(21,22)18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVCUMCHUIRILJU-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