General Information of the Compound
| Compound ID |
CP0509685
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| Compound Name |
7-[2-[[1-[2-[2-[2-[4-(6-fluoro-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C41H36FN3O9
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| Molecular Weight |
733.749
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| Canonical SMILES |
Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C41H36FN3O9/c42-30-8-13-38-35(22-30)37(47)25-40(53-38)29-6-9-32(10-7-29)51-20-18-49-17-16-48-15-14-45-26-31(43-44-45)27-50-19-21-52-33-11-12-34-36(46)24-39(54-41(34)23-33)28-4-2-1-3-5-28/h1-13,22-26H,14-21,27H2
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| InChIKey |
LLFAXSSORGJAAB-UHFFFAOYSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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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