General Information of the Compound
| Compound ID |
CP0488157
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[[7-(difluoromethyl)-3-(4-fluoro-2-methylphenyl)-2-oxochromen-4-yl]methyl]phenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H19F3O4
|
||||||||||||||||||
| Molecular Weight |
464.439
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(cc2oc1=O)C(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H19F3O4/c1-15-12-19(28)8-10-20(15)25-22(13-17-4-2-16(3-5-17)6-11-24(31)32)21-9-7-18(26(29)30)14-23(21)34-27(25)33/h2-12,14,26H,13H2,1H3,(H,31,32)/b11-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WZPKCSRWKGDRJH-IZZDOVSWSA-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