General Information of the Compound
| Compound ID |
CP0443977
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| Compound Name |
7-[4-[1-[2-[2-[4-(6-fluoro-4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]butoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C40H34FN3O7
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| Molecular Weight |
687.724
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| Canonical SMILES |
Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C40H34FN3O7/c41-29-11-16-37-34(22-29)36(46)25-39(50-37)28-9-12-31(13-10-28)49-21-20-47-19-17-44-26-30(42-43-44)8-4-5-18-48-32-14-15-33-35(45)24-38(51-40(33)23-32)27-6-2-1-3-7-27/h1-3,6-7,9-16,22-26H,4-5,8,17-21H2
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| InChIKey |
ACTUKRWKENIPCH-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