General Information of the Compound
| Compound ID |
CP0472430
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(2R)-2-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]sulfonylisoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N4O2S2
|
||||||||||||||||||
| Molecular Weight |
520.724
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(N1CCCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N4O2S2/c33-36(34,28-21-29-20-22-6-1-2-8-24(22)28)32-13-4-3-7-23(32)11-14-30-15-17-31(18-16-30)26-9-5-10-27-25(26)12-19-35-27/h1-2,5-6,8-10,12,19-21,23H,3-4,7,11,13-18H2/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWDHUYPVZPEUAM-HSZRJFAPSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor