General Information of the Compound
| Compound ID |
CP0544328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-methyl-2-(4-pent-4-ynoxyphenyl)chromen-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C21H18O3
|
||||||||||||||||||
| Molecular Weight |
318.372
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCC#C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18O3/c1-3-4-5-12-23-17-9-7-16(8-10-17)21-14-19(22)18-13-15(2)6-11-20(18)24-21/h1,6-11,13-14H,4-5,12H2,2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTCNIDQKIFZFGE-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 | |||||||||||||||||||
| 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