General Information of the Compound
| Compound ID |
CP0531832
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[[3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H32N4O8S
|
||||||||||||||||||
| Molecular Weight |
644.706
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H32N4O8S/c1-43-28-11-8-22(19-29(28)44-2)32(39)36-16-13-24(14-17-36)37-27(31(38)35-33(37)40)18-21-6-9-25(10-7-21)45-46(41,42)30-5-3-4-23-20-34-15-12-26(23)30/h3-12,15,19-20,24,27H,13-14,16-18H2,1-2H3,(H,35,38,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYXZYIFFBJFOFT-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