General Information of the Compound
| Compound ID |
CP0445939
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-acetyl-7-[3-[4-(3-bromophenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27BrN2O4
|
||||||||||||||||||
| Molecular Weight |
499.405
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1c(OCCCN2CCN(CC2)c2cccc(Br)c2)ccc2c(C)cc(=O)oc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27BrN2O4/c1-17-15-23(30)32-25-21(17)7-8-22(24(25)18(2)29)31-14-4-9-27-10-12-28(13-11-27)20-6-3-5-19(26)16-20/h3,5-8,15-16H,4,9-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SAKSAVIEWZSKMA-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