General Information of the Compound
| Compound ID |
CP0502201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24N6
|
||||||||||||||||||
| Molecular Weight |
324.432
|
||||||||||||||||||
| Canonical SMILES |
NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H24N6/c19-15-5-8-23(9-6-15)7-1-2-14-11-20-18-4-3-16(10-17(14)18)24-12-21-22-13-24/h3-4,10-13,15,20H,1-2,5-9,19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMRTVBHNNKWSNL-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D