General Information of the Compound
| Compound ID |
CP0317086
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(benzenesulfonyl)-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22ClF3N2O5S2
|
||||||||||||||||||
| Molecular Weight |
587.041
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22ClF3N2O5S2/c26-18-8-6-17(7-9-18)24(32)31-14-12-19(13-15-31)30-38(35,36)23-16-21(10-11-22(23)25(27,28)29)37(33,34)20-4-2-1-3-5-20/h1-11,16,19,30H,12-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OJSUGALSWDZDPW-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