General Information of the Compound
| Compound ID |
CP0911941
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-acetyl-4,7-dimethyl-5-(3-(4-(4-nitrophenyl)piperazin-1-yl)propoxy)-2H-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N3O6
|
||||||||||||||||||
| Molecular Weight |
479.533
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N3O6/c1-17-15-22-25(18(2)16-23(31)35-22)26(24(17)19(3)30)34-14-4-9-27-10-12-28(13-11-27)20-5-7-21(8-6-20)29(32)33/h5-8,15-16H,4,9-14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAHFRCCKERJNGP-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A