General Information of the Compound
| Compound ID |
CP0417365
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21FN2O
|
||||||||||||||||||
| Molecular Weight |
288.366
|
||||||||||||||||||
| Canonical SMILES |
CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZKZTKPGTZKVOQ-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