General Information of the Compound
| Compound ID |
CP0826522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-N-(2-Methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25Cl2F3N2O2
|
||||||||||||||||||
| Molecular Weight |
453.332
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23F3N2O2.2ClH/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3;2*1H/t17-,19-;;/m0../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVTRGAPFNJEOTQ-FFUVTKDNSA-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