General Information of the Compound
| Compound ID |
CP0968028
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5-(1-benzylpyrrolidin-3-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione formate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N3O5
|
||||||||||||||||||
| Molecular Weight |
449.507
|
||||||||||||||||||
| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccccc5)C4)ccc3C2=O)C(=O)N1.O=CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N3O3.CH2O2/c28-22-9-8-21(23(29)25-22)27-15-19-12-17(6-7-20(19)24(27)30)18-10-11-26(14-18)13-16-4-2-1-3-5-16;2-1-3/h1-7,12,18,21H,8-11,13-15H2,(H,25,28,29);1H,(H,2,3)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASEBEMFEOQXDGN-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 | |||||||||||||||||||
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