General Information of the Compound
| Compound ID |
CP0447217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]thiophene-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24FN3O3S2
|
||||||||||||||||||
| Molecular Weight |
437.562
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cccs2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24FN3O3S2/c21-16-5-6-17-18(14-16)27-23-20(17)15-7-11-24(12-8-15)10-2-1-9-22-29(25,26)19-4-3-13-28-19/h3-6,13-15,22H,1-2,7-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDBDYFWUCQEXEB-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: 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