General Information of the Compound
| Compound ID |
CP0579466
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[(4-propan-2-ylphenyl)methoxy]-4-(trifluoromethyl)chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17F3O3
|
||||||||||||||||||
| Molecular Weight |
362.347
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F3O3/c1-12(2)14-5-3-13(4-6-14)11-25-15-7-8-16-17(20(21,22)23)10-19(24)26-18(16)9-15/h3-10,12H,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CSQGJLMQFIKUGT-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 | |||||||||||||||||||
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