General Information of the Compound
| Compound ID |
CP0405360
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[2-[benzyl-[[1-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]ethoxy]-2-phenylchromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C46H40N4O7
|
||||||||||||||||||
| Molecular Weight |
760.847
|
||||||||||||||||||
| Canonical SMILES |
O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H40N4O7/c51-41-28-45(56-43-14-8-7-13-39(41)43)35-15-17-37(18-16-35)55-26-25-53-23-22-50-32-36(47-48-50)31-49(30-33-9-3-1-4-10-33)21-24-54-38-19-20-40-42(52)29-44(57-46(40)27-38)34-11-5-2-6-12-34/h1-20,27-29,32H,21-26,30-31H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBGPQSPVZIFFBR-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
Protein ID: PT02516, Multidrug resistance-associated protein 1