General Information of the Compound
| Compound ID |
CP0490690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N2O
|
||||||||||||||||||
| Molecular Weight |
270.376
|
||||||||||||||||||
| Canonical SMILES |
CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWAYIPPRBHZSBU-SJORKVTESA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter