General Information of the Compound
| Compound ID |
CP0455750
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[[3-[1-(2-methylpropanoyl)piperidin-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N4O6S
|
||||||||||||||||||
| Molecular Weight |
550.637
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N4O6S/c1-18(2)27(34)31-14-11-21(12-15-31)32-24(26(33)30-28(32)35)16-19-6-8-22(9-7-19)38-39(36,37)25-5-3-4-20-17-29-13-10-23(20)25/h3-10,13,17-18,21,24H,11-12,14-16H2,1-2H3,(H,30,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GBNYNPFPSQWZSM-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