General Information of the Compound
| Compound ID |
CP0562281
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N2O5
|
||||||||||||||||||
| Molecular Weight |
466.578
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CN(CC(C)C)Cc2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N2O5/c1-19(2)16-28(17-20-4-6-23-22(14-20)10-12-33-23)18-21-5-7-24(25(15-21)32-3)34-13-11-29-26(30)8-9-27(29)31/h4-7,14-15,19H,8-13,16-18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGNHCTJPPCPJLP-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