General Information of the Compound
| Compound ID |
CP0471695
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| Compound Name |
7-[2-[2-[2-[4-[[benzyl-[[1-[2-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C55H55N7O10
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| Molecular Weight |
974.084
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| Canonical SMILES |
O=c1cc(oc2cc(OCCOCCOCCn3cc(CN(Cc4cn(CCOCCOCCOc5ccc6c(c5)oc(cc6=O)-c5ccccc5)nn4)Cc4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C55H55N7O10/c63-50-34-52(42-12-6-2-7-13-42)71-54-32-46(16-18-48(50)54)69-30-28-67-26-24-65-22-20-61-39-44(56-58-61)37-60(36-41-10-4-1-5-11-41)38-45-40-62(59-57-45)21-23-66-25-27-68-29-31-70-47-17-19-49-51(64)35-53(72-55(49)33-47)43-14-8-3-9-15-43/h1-19,32-35,39-40H,20-31,36-38H2
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| InChIKey |
KIEVEPXUCHITOK-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