General Information of the Compound
| Compound ID |
CP0458930
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(2,5-dioxopyrrolidin-1-yl)-4-[4-(3-nitrophenyl)phenoxy]butyl]-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N3O6
|
||||||||||||||||||
| Molecular Weight |
501.539
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCC2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N3O6/c1-29-28(34)21-8-5-19(6-9-21)7-12-24(30-26(32)15-16-27(30)33)18-37-25-13-10-20(11-14-25)22-3-2-4-23(17-22)31(35)36/h2-6,8-11,13-14,17,24H,7,12,15-16,18H2,1H3,(H,29,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSMYVTTXHZVTAO-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