General Information of the Compound
| Compound ID |
CP0409153
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22FN3O
|
||||||||||||||||||
| Molecular Weight |
351.425
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22FN3O/c22-16-6-7-20-18(13-16)15(14-25-20)3-2-9-23-11-12-26-21-5-1-4-19-17(21)8-10-24-19/h1,4-8,10,13-14,23-25H,2-3,9,11-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFSLDEREWKLRLJ-UHFFFAOYSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter