General Information of the Compound
| Compound ID |
CP0426330
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[4-[1-[2-[2-[2-[4-(6-fluoro-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butoxy]-2-phenylchromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H38FN3O8
|
||||||||||||||||||
| Molecular Weight |
731.777
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H38FN3O8/c43-31-11-16-39-36(24-31)38(48)27-41(53-39)30-9-12-33(13-10-30)52-23-22-50-21-20-49-19-17-46-28-32(44-45-46)8-4-5-18-51-34-14-15-35-37(47)26-40(54-42(35)25-34)29-6-2-1-3-7-29/h1-3,6-7,9-16,24-28H,4-5,8,17-23H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BVJWFINFZBGQNS-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