General Information of the Compound
| Compound ID |
CP0884297
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-3-ethoxycarbonyl-6-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridinium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31IN2O5S
|
||||||||||||||||||
| Molecular Weight |
658.558
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31N2O5S.HI/c1-5-23-24(30(36)38-7-3)22(17-18-32-27(33)20-15-11-12-16-21(20)28(32)34)25(29(35)37-6-2)26(31(23)4)19-13-9-8-10-14-19;/h8-16H,5-7,17-18H2,1-4H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRNXSRVPKVEXIE-UHFFFAOYSA-M
|
||||||||||||||||||
| 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