General Information of the Compound
| Compound ID |
CP0444348
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-fluoro-3-methoxyphenyl)benzo[h]chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H13FO3
|
||||||||||||||||||
| Molecular Weight |
320.319
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1F)-c1cc(=O)c2ccc3ccccc3c2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H13FO3/c1-23-19-10-13(7-9-16(19)21)18-11-17(22)15-8-6-12-4-2-3-5-14(12)20(15)24-18/h2-11H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJMOCVLIXYIPTG-UHFFFAOYSA-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
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1