General Information of the Compound
| Compound ID |
CP0468649
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(4-benzylpiperazin-1-yl)butyl]-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N4OS
|
||||||||||||||||||
| Molecular Weight |
432.593
|
||||||||||||||||||
| Canonical SMILES |
O=c1[nH]c(CCCCN2CCN(Cc3ccccc3)CC2)nc2c3ccccc3sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4OS/c30-25-24-23(20-10-4-5-11-21(20)31-24)26-22(27-25)12-6-7-13-28-14-16-29(17-15-28)18-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2,(H,26,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZWYRHFYSOFNMK-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7