General Information of the Compound
| Compound ID |
CP0405074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-chlorophenyl)-1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26Cl2N2O3S
|
||||||||||||||||||
| Molecular Weight |
469.434
|
||||||||||||||||||
| Canonical SMILES |
OC1(CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1Cl)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26Cl2N2O3S/c23-18-5-3-4-17(16-18)22(27)10-14-25(15-11-22)19-8-12-26(13-9-19)30(28,29)21-7-2-1-6-20(21)24/h1-7,16,19,27H,8-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYZOXLGHOOIBSQ-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