General Information of the Compound
| Compound ID |
CP0407692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1644478
Show/Hide
|
||||||||||||||||||
| Formula |
C13H16FNO
|
||||||||||||||||||
| Molecular Weight |
221.275
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H16FNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWDJHMXLIXWQGQ-PTEHBNRSSA-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 | |||||||||||||||||||
| 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