General Information of the Compound
| Compound ID |
CP0435418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(3-fluorophenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17FO3
|
||||||||||||||||||
| Molecular Weight |
324.351
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2ccc(C(=O)\C=C\c3cccc(F)c3)c(O)c2C=C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17FO3/c1-20(2)11-10-16-18(24-20)9-7-15(19(16)23)17(22)8-6-13-4-3-5-14(21)12-13/h3-12,23H,1-2H3/b8-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOJYYGCSQFJIRO-SOFGYWHQSA-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