General Information of the Compound
| Compound ID |
CP0441630
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-methanesulfonyl-4-phenyl-piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23F6NO3S
|
||||||||||||||||||
| Molecular Weight |
495.485
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23F6NO3S/c1-33(30,31)29-9-7-20(8-10-29,17-5-3-2-4-6-17)15-32-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13H,7-10,14-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNVPIZWBKNFFDH-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