General Information of the Compound
| Compound ID |
CP0556009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,7-dimethoxy-3-[3-(4-methylpiperazin-1-yl)propoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36N2O8
|
||||||||||||||||||
| Molecular Weight |
528.602
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCCN1CCN(C)CC1)c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N2O8/c1-29-9-11-30(12-10-29)8-7-13-37-28-25(31)24-20(33-3)16-19(32-2)17-21(24)38-26(28)18-14-22(34-4)27(36-6)23(15-18)35-5/h14-17H,7-13H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGQPXSFUAMUNPN-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