General Information of the Compound
| Compound ID |
CP0531865
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Amino-5,6-dimethyl-2-[3-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]propylthio]-3H-thieno[2,3-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31N7OS2
|
||||||||||||||||||
| Molecular Weight |
557.749
|
||||||||||||||||||
| Canonical SMILES |
Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4nc3-c3ccccc3)n(N)c(=O)c2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31N7OS2/c1-19-20(2)39-27-24(19)28(37)36(30)29(33-27)38-18-8-13-34-14-16-35(17-15-34)26-25(21-9-4-3-5-10-21)31-22-11-6-7-12-23(22)32-26/h3-7,9-12H,8,13-18,30H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPEGWVZSANJAMN-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: PT02227, 5-hydroxytryptamine receptor 3A