General Information of the Compound
| Compound ID |
CP0433460
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(4-benzylpiperazin-1-yl)pentyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N4OS
|
||||||||||||||||||
| Molecular Weight |
410.587
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2c(nc(CCCCCN3CCN(Cc4ccccc4)CC3)[nH]c2=O)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N4OS/c1-18-16-20-22(28)24-21(25-23(20)29-18)10-6-3-7-11-26-12-14-27(15-13-26)17-19-8-4-2-5-9-19/h2,4-5,8-9,16H,3,6-7,10-15,17H2,1H3,(H,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSFCFVOFSOMVAL-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