General Information of the Compound
| Compound ID |
CP0387725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl]phenoxy]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23NO5
|
||||||||||||||||||
| Molecular Weight |
429.472
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCOc1ccc(CCc2ccc(cc2)N2C(=O)c3ccccc3C2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23NO5/c28-24(29)6-3-17-32-21-15-11-19(12-16-21)8-7-18-9-13-20(14-10-18)27-25(30)22-4-1-2-5-23(22)26(27)31/h1-2,4-5,9-16H,3,6-8,17H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WLHBDCBOQFZHFQ-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