General Information of the Compound
| Compound ID |
CP0419747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[[3-[(1-benzylpiperidin-4-yl)methyl]-1-(isoquinolin-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H39N5O5S
|
||||||||||||||||||
| Molecular Weight |
725.871
|
||||||||||||||||||
| Canonical SMILES |
O=C1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(CC2CCN(Cc3ccccc3)CC2)C(=O)N1Cc1cccc2cnccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H39N5O5S/c48-41-39(24-30-12-14-36(15-13-30)52-53(50,51)40-11-5-9-34-26-44-21-17-38(34)40)46(28-32-18-22-45(23-19-32)27-31-6-2-1-3-7-31)42(49)47(41)29-35-10-4-8-33-25-43-20-16-37(33)35/h1-17,20-21,25-26,32,39H,18-19,22-24,27-29H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYGFRZOBIIQIRV-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