General Information of the Compound
| Compound ID |
CP0527035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-benzylpiperazine-1-carbonyl)chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N2O3
|
||||||||||||||||||
| Molecular Weight |
348.402
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N2O3/c24-20(18-14-17-8-4-5-9-19(17)26-21(18)25)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVAQGDLGGDLLDD-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