General Information of the Compound
| Compound ID |
CP0392715
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[2-[[1-[2-[2-[4-(6-fluoro-4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-2-phenylchromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H32FN3O8
|
||||||||||||||||||
| Molecular Weight |
689.696
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H32FN3O8/c40-28-8-13-36-33(20-28)35(45)23-38(50-36)27-6-9-30(10-7-27)48-18-16-46-15-14-43-24-29(41-42-43)25-47-17-19-49-31-11-12-32-34(44)22-37(51-39(32)21-31)26-4-2-1-3-5-26/h1-13,20-24H,14-19,25H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCSFTELYJDGRKC-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2