General Information of the Compound
| Compound ID |
CP0430539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]dithiolan-2-yl}-[1,4']bipiperidinyl-1'-carboxylic acid ethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38N2O5S3
|
||||||||||||||||||
| Molecular Weight |
590.833
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(SCCS1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N2O5S3/c1-3-36-28(32)31-18-14-24(15-19-31)30-16-12-23(13-17-30)29(37-20-21-38-29)22-4-8-26(9-5-22)39(33,34)27-10-6-25(35-2)7-11-27/h4-11,23-24H,3,12-21H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVQPCIQXTRILEZ-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