General Information of the Compound
| Compound ID |
CP0527494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(4-Phenyl-piperazin-1-ylmethyl)-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N2O2
|
||||||||||||||||||
| Molecular Weight |
320.392
|
||||||||||||||||||
| Canonical SMILES |
O=c1ccc2ccc(CN3CCN(CC3)c3ccccc3)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N2O2/c23-20-9-8-17-7-6-16(14-19(17)24-20)15-21-10-12-22(13-11-21)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQFAWAZKZLOJGU-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