General Information of the Compound
| Compound ID |
CP0532876
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[3-[(3,4-dichlorophenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21Cl2FN2O3S
|
||||||||||||||||||
| Molecular Weight |
471.381
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4ccc(Cl)c(Cl)c4)C3)noc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21Cl2FN2O3S/c22-18-6-4-16(11-19(18)23)30(27,28)13-14-7-9-26(12-14)8-1-2-20-17-5-3-15(24)10-21(17)29-25-20/h3-6,10-11,14H,1-2,7-9,12-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIGNJJGSVYZRNL-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 | |||||||||||||||||||
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