General Information of the Compound
| Compound ID |
CP0405489
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| Compound Name |
7-fluoro-2-[4-[3-[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]chromen-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(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1
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| InChI |
InChI=1S/C41H36FN3O8/c42-30-11-16-35-37(47)26-40(53-41(35)24-30)29-7-12-32(13-8-29)50-18-3-4-31-27-45(44-43-31)17-19-48-20-21-49-22-23-51-33-14-9-28(10-15-33)39-25-36(46)34-5-1-2-6-38(34)52-39/h1-2,5-16,24-27H,3-4,17-23H2
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| InChIKey |
KHXCAELRMQZJBJ-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
Protein ID: PT02516, Multidrug resistance-associated protein 1