General Information of the Compound
| Compound ID |
CP0468504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-4-(trifluoromethoxy)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23F3N4O3S2
|
||||||||||||||||||
| Molecular Weight |
500.568
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1nsc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F3N4O3S2/c22-21(23,24)31-16-6-8-17(9-7-16)33(29,30)25-10-3-11-27-12-14-28(15-13-27)20-18-4-1-2-5-19(18)32-26-20/h1-2,4-9,25H,3,10-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CBJLKVBQMMAZQJ-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