General Information of the Compound
| Compound ID |
CP0852530
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,7-dimethyl-5-(4-(4-(4-nitrophenyl)piperazin-1-yl)butoxy)-2H-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N3O5
|
||||||||||||||||||
| Molecular Weight |
451.523
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCCCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c(C)cc(=O)oc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N3O5/c1-18-15-22(25-19(2)17-24(29)33-23(25)16-18)32-14-4-3-9-26-10-12-27(13-11-26)20-5-7-21(8-6-20)28(30)31/h5-8,15-17H,3-4,9-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MELSRRGMGZRJFC-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