General Information of the Compound
| Compound ID |
CP0538495
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-(5-bromo-2-hydroxyphenyl)-3-(2-propoxyphenyl)prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17BrO3
|
||||||||||||||||||
| Molecular Weight |
361.235
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1ccccc1\C=C\C(=O)c1cc(Br)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17BrO3/c1-2-11-22-18-6-4-3-5-13(18)7-9-16(20)15-12-14(19)8-10-17(15)21/h3-10,12,21H,2,11H2,1H3/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLFGOFRUCDKDJP-VQHVLOKHSA-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