General Information of the Compound
| Compound ID |
CP0212795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(benzylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)piperidin-1-yl)piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H38N2O5S2
|
||||||||||||||||||
| Molecular Weight |
594.799
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38N2O5S2/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-33(21-17-28)29-18-22-34(23-19-29)40(35,36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZOPOAUKSIMGRQ-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