General Information of the Compound
| Compound ID |
CP0862350
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-acetyl-5-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butoxy)-4,7-dimethyl-2H-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N2O5
|
||||||||||||||||||
| Molecular Weight |
478.589
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(N2CCN(CCCCOc3c(C(C)=O)c(C)cc4oc(=O)cc(C)c34)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N2O5/c1-19-16-24-27(20(2)17-25(32)35-24)28(26(19)21(3)31)34-15-6-5-10-29-11-13-30(14-12-29)22-8-7-9-23(18-22)33-4/h7-9,16-18H,5-6,10-15H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEQLYFIMRYPHOQ-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