General Information of the Compound
| Compound ID |
CP0439691
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N2O2
|
||||||||||||||||||
| Molecular Weight |
362.473
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N2O2/c1-26-21-12-11-18(22-10-6-14-27-22)15-19(21)16-25-20-9-5-13-24-23(20)17-7-3-2-4-8-17/h2-4,6-8,10-12,14-15,20,23-25H,5,9,13,16H2,1H3/t20-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZDZTLWCMKUMLO-REWPJTCUSA-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