General Information of the Compound
| Compound ID |
CP0425823
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2S,3S)-3-(2-Methoxy-benzylamino)-2-phenyl-piperidin-1-yl]-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N3O2
|
||||||||||||||||||
| Molecular Weight |
353.466
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CN[C@H]1CCCN(CC(N)=O)[C@H]1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N3O2/c1-26-19-12-6-5-10-17(19)14-23-18-11-7-13-24(15-20(22)25)21(18)16-8-3-2-4-9-16/h2-6,8-10,12,18,21,23H,7,11,13-15H2,1H3,(H2,22,25)/t18-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXKICKCHXGVWDV-RXVVDRJESA-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