General Information of the Compound
| Compound ID |
CP0408653
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H33N3O3S
|
||||||||||||||||||
| Molecular Weight |
431.602
|
||||||||||||||||||
| Canonical SMILES |
CCN(CCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H33N3O3S/c1-4-26(30(27,28)21-12-10-20(2)11-13-21)15-7-14-24-16-18-25(19-17-24)22-8-5-6-9-23(22)29-3/h5-6,8-13H,4,7,14-19H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PODGMXBKKUXOJB-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: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT00941, 5-hydroxytryptamine receptor 7