General Information of the Compound
| Compound ID |
CP0443564
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-methoxy-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N3O5
|
||||||||||||||||||
| Molecular Weight |
395.415
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2oc(cc(=O)c12)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O5/c1-28-18-3-2-4-19-21(18)17(25)13-20(29-19)23-11-9-22(10-12-23)14-15-5-7-16(8-6-15)24(26)27/h2-8,13H,9-12,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWMGFUSBQNYQCT-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