General Information of the Compound
| Compound ID |
CP0410106
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-Fluoro-3-{4-[2-(4-fluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28F2N6
|
||||||||||||||||||
| Molecular Weight |
450.537
|
||||||||||||||||||
| Canonical SMILES |
FC(CN1CCN(CCc2ccc(F)cc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F2N6/c26-21-3-1-19(2-4-21)7-8-31-9-11-32(12-10-31)16-22(27)13-20-15-28-25-6-5-23(14-24(20)25)33-17-29-30-18-33/h1-6,14-15,17-18,22,28H,7-13,16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFHKZPKYRSMQOV-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