General Information of the Compound
| Compound ID |
CP0485924
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N2O5
|
||||||||||||||||||
| Molecular Weight |
438.524
|
||||||||||||||||||
| Canonical SMILES |
CCC(NCc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O5/c1-3-20(18-5-7-21-19(15-18)10-12-31-21)26-16-17-4-6-22(23(14-17)30-2)32-13-11-27-24(28)8-9-25(27)29/h4-7,14-15,20,26H,3,8-13,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOAICGPGPKWYQY-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