General Information of the Compound
| Compound ID |
CP0489730
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((3S,4S)-4-(o-tolyloxy)-3,4-dihydro-2H-chromen-3-yl)methanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19NO2
|
||||||||||||||||||
| Molecular Weight |
269.344
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1O[C@H]1[C@@H](CN)COc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19NO2/c1-12-6-2-4-8-15(12)20-17-13(10-18)11-19-16-9-5-3-7-14(16)17/h2-9,13,17H,10-11,18H2,1H3/t13-,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQRGTZIPGLRQOJ-GUYCJALGSA-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