General Information of the Compound
| Compound ID |
CP0460971
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(2-methylbut-3-yn-2-yloxy)-8-prop-2-enylchromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16O3
|
||||||||||||||||||
| Molecular Weight |
268.312
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Oc1ccc2ccc(=O)oc2c1CC=C)C#C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16O3/c1-5-7-13-14(20-17(3,4)6-2)10-8-12-9-11-15(18)19-16(12)13/h2,5,8-11H,1,7H2,3-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEZCQCFDJJWVGD-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