General Information of the Compound
| Compound ID |
CP0409608
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-Phenyl-2-{1-[3-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N6O
|
||||||||||||||||||
| Molecular Weight |
458.61
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N6O/c34-18-27(22-5-2-1-3-6-22)31-24-10-13-32(14-11-24)12-4-7-23-16-29-26-9-8-21(15-25(23)26)17-33-20-28-19-30-33/h1-3,5-6,8-9,15-16,19-20,24,27,29,31,34H,4,7,10-14,17-18H2/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCDNSQAJVDJBNH-MHZLTWQESA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D