General Information of the Compound
| Compound ID |
CP0454140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-(2-chloro-6-methylphenyl)sulfonyl-4-methylpiperidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30Cl2N2O3S
|
||||||||||||||||||
| Molecular Weight |
497.488
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Cl)c1S(=O)(=O)N1CCC(C)(CC1)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30Cl2N2O3S/c1-18-4-3-5-21(26)22(18)32(30,31)28-16-10-23(2,11-17-28)27-14-12-24(29,13-15-27)19-6-8-20(25)9-7-19/h3-9,29H,10-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IXOKUEWZNUGLNN-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