General Information of the Compound
| Compound ID |
CP0557796
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-[[2-(5-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N2O3
|
||||||||||||||||||
| Molecular Weight |
362.429
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cccc(O)c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N2O3/c1-26-18-5-7-21-20(12-18)16(13-24-21)9-10-23-14-19-6-8-22(27-19)15-3-2-4-17(25)11-15/h2-8,11-13,23-25H,9-10,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKHBMDXLAKMZHD-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor