General Information of the Compound
| Compound ID |
CP0518895
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13F3O3
|
||||||||||||||||||
| Molecular Weight |
322.282
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccc(cc2)C(F)(F)F)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13F3O3/c1-23-16-10-11(3-9-15(16)22)2-8-14(21)12-4-6-13(7-5-12)17(18,19)20/h2-10,22H,1H3/b8-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHEJLYYGQOGWRY-KRXBUXKQSA-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