General Information of the Compound
| Compound ID |
CP0426339
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| Compound Name |
7-[2-[2-[2-[4-[3-[4-(7-fluoro-4-oxochromen-2-yl)phenoxy]propyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C41H36FN3O8
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| Molecular Weight |
717.75
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| Canonical SMILES |
Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C41H36FN3O8/c42-30-10-14-34-36(46)26-39(52-40(34)23-30)29-8-11-32(12-9-29)50-17-4-7-31-27-45(44-43-31)16-18-48-19-20-49-21-22-51-33-13-15-35-37(47)25-38(53-41(35)24-33)28-5-2-1-3-6-28/h1-3,5-6,8-15,23-27H,4,7,16-22H2
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| InChIKey |
FWVGFAUETZRWKT-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