General Information of the Compound
| Compound ID |
CP0381959
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[[3-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H32N4O6S
|
||||||||||||||||||
| Molecular Weight |
612.708
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCC(CCN2C(Cc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)C(=O)NC2=O)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H32N4O6S/c38-31-29(37(33(40)35-31)20-16-23-14-18-36(19-15-23)32(39)25-5-2-1-3-6-25)21-24-9-11-27(12-10-24)43-44(41,42)30-8-4-7-26-22-34-17-13-28(26)30/h1-13,17,22-23,29H,14-16,18-21H2,(H,35,38,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXNQKSAEJFAKOF-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