General Information of the Compound
| Compound ID |
CP0398776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[(E)-3-[4-[4-(4-chlorophenoxy)butoxy]phenyl]prop-2-enoyl]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25ClO6
|
||||||||||||||||||
| Molecular Weight |
480.944
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)COc1ccccc1C(=O)\C=C\c1ccc(OCCCCOc2ccc(Cl)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25ClO6/c28-21-10-14-23(15-11-21)33-18-4-3-17-32-22-12-7-20(8-13-22)9-16-25(29)24-5-1-2-6-26(24)34-19-27(30)31/h1-2,5-16H,3-4,17-19H2,(H,30,31)/b16-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFEWGPHCEYARMN-CXUHLZMHSA-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