General Information of the Compound
| Compound ID |
CP0416309
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-o-Tolyl-piperazin-1-ylmethyl)-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N2O2
|
||||||||||||||||||
| Molecular Weight |
334.419
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1N1CCN(Cc2ccc3oc(=O)ccc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N2O2/c1-16-4-2-3-5-19(16)23-12-10-22(11-13-23)15-17-6-8-20-18(14-17)7-9-21(24)25-20/h2-9,14H,10-13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQQONDKIJNAPNM-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