General Information of the Compound
| Compound ID |
CP0455225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-Erythro-1-(1H-indol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N2O
|
||||||||||||||||||
| Molecular Weight |
280.371
|
||||||||||||||||||
| Canonical SMILES |
CNC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N2O/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20/h2-12,17-19,21H,13H2,1H3/t17-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANOKEIWYHCYLAM-ROUUACIJSA-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