General Information of the Compound
| Compound ID |
CP0200801
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-1'-(butane-1-sulfonyl)-[1,4']bipiperidinyl
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H36N2O7S2
|
||||||||||||||||||
| Molecular Weight |
564.726
|
||||||||||||||||||
| Canonical SMILES |
CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H36N2O7S2/c1-2-3-18-37(30,31)29-16-10-21(11-17-29)28-14-12-23(13-15-28)36-22-4-6-24(7-5-22)38(32,33)25-8-9-26-27(19-25)35-20-34-26/h4-9,19,21,23H,2-3,10-18,20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOFHCVGMHADWNJ-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