General Information of the Compound
| Compound ID |
CP0466813
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| Compound Name |
7-[2-[2-[4-[[benzyl-[[1-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]-2-phenylchromen-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(oc2cc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc6c(c5)oc(cc6=O)-c5ccccc5)nn4)Cc4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C51H47N7O8/c59-46-30-48(38-12-6-2-7-13-38)65-50-28-42(16-18-44(46)50)63-26-24-61-22-20-57-35-40(52-54-57)33-56(32-37-10-4-1-5-11-37)34-41-36-58(55-53-41)21-23-62-25-27-64-43-17-19-45-47(60)31-49(66-51(45)29-43)39-14-8-3-9-15-39/h1-19,28-31,35-36H,20-27,32-34H2
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| InChIKey |
HECRCWLTEPGUQM-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