General Information of the Compound
| Compound ID |
CP0444099
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-2-(3-chlorophenyl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butyl]-N-methylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32Cl2N2O2S
|
||||||||||||||||||
| Molecular Weight |
531.549
|
||||||||||||||||||
| Canonical SMILES |
CN(C[C@@H](CCN1CCC(CC1)c1ccc(Cl)cc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32Cl2N2O2S/c1-31(35(33,34)28-8-3-2-4-9-28)21-25(24-6-5-7-27(30)20-24)16-19-32-17-14-23(15-18-32)22-10-12-26(29)13-11-22/h2-13,20,23,25H,14-19,21H2,1H3/t25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDFMZFWORWTSHN-RUZDIDTESA-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