General Information of the Compound
| Compound ID |
CP0448900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(4-Furan-2-ylmethyl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N6O
|
||||||||||||||||||
| Molecular Weight |
390.491
|
||||||||||||||||||
| Canonical SMILES |
C(CN1CCN(Cc2ccco2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N6O/c1(7-26-8-10-27(11-9-26)15-20-4-2-12-29-20)3-18-14-23-22-6-5-19(13-21(18)22)28-16-24-25-17-28/h2,4-6,12-14,16-17,23H,1,3,7-11,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRHXBCQXRBWCCP-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