General Information of the Compound
| Compound ID |
CP0002723
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-2-(3-Methoxyphenyl)-3,5,5-trimethylmorpholin-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H21NO3
|
||||||||||||||||||
| Molecular Weight |
251.326
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)[C@]1(O)OCC(C)(C)N[C@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-6-5-7-12(8-11)17-4/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHBAFJPTWCEURK-IINYFYTJSA-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter