General Information of the Compound
| Compound ID |
CP0510629
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3R)-1-(2-chloro-6-methylphenyl)sulfonylpiperidin-3-yl]-4-(4-chlorophenyl)piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28Cl2N2O3S
|
||||||||||||||||||
| Molecular Weight |
483.461
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](C1)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28Cl2N2O3S/c1-17-4-2-6-21(25)22(17)31(29,30)27-13-3-5-20(16-27)26-14-11-23(28,12-15-26)18-7-9-19(24)10-8-18/h2,4,6-10,20,28H,3,5,11-16H2,1H3/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GRVBENWAFTWPOR-HXUWFJFHSA-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