General Information of the Compound
| Compound ID |
CP0458056
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| Compound Name |
2-[4-[2-[2-[4-[[benzyl-[[1-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]phenyl]chromen-4-one
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| Structure |
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| Formula |
C51H47N7O8
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| Molecular Weight |
885.978
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| Canonical SMILES |
O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CN(Cc3cn(CCOCCOc4ccc(cc4)-c4cc(=O)c5ccccc5o4)nn3)Cc3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C51H47N7O8/c59-46-30-50(65-48-12-6-4-10-44(46)48)38-14-18-42(19-15-38)63-28-26-61-24-22-57-35-40(52-54-57)33-56(32-37-8-2-1-3-9-37)34-41-36-58(55-53-41)23-25-62-27-29-64-43-20-16-39(17-21-43)51-31-47(60)45-11-5-7-13-49(45)66-51/h1-21,30-31,35-36H,22-29,32-34H2
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| InChIKey |
ZXMKYCZBSYKRII-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