General Information of the Compound
| Compound ID |
CP0448973
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N8
|
||||||||||||||||||
| Molecular Weight |
388.479
|
||||||||||||||||||
| Canonical SMILES |
C(CN1CCN(CC1)c1ncccn1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N8/c1(8-27-9-11-28(12-10-27)21-22-6-2-7-23-21)3-17-14-24-20-5-4-18(13-19(17)20)29-15-25-26-16-29/h2,4-7,13-16,24H,1,3,8-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDIBFAUPWUSDGT-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