General Information of the Compound
| Compound ID |
CP0479568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[8-fluoro-3-(4-fluoro-2-methylphenyl)-7-hydroxy-2-oxochromen-4-yl]oxyphenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H16F2O6
|
||||||||||||||||||
| Molecular Weight |
450.393
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)c(F)c2oc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H16F2O6/c1-13-12-15(26)5-8-17(13)21-23(18-9-10-19(28)22(27)24(18)33-25(21)31)32-16-6-2-14(3-7-16)4-11-20(29)30/h2-12,28H,1H3,(H,29,30)/b11-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XPSHNFWXFJXFDK-NYYWCZLTSA-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