General Information of the Compound
| Compound ID |
CP0394427
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| Compound Name |
7-[2-[benzyl-[[1-[2-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]ethoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C48H44N4O8
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| Molecular Weight |
804.9
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| Canonical SMILES |
O=c1cc(oc2cc(OCCOCCOCCn3cc(CN(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)Cc4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C48H44N4O8/c53-43-30-45(36-12-6-2-7-13-36)59-47-28-39(16-18-41(43)47)57-23-20-51(32-35-10-4-1-5-11-35)33-38-34-52(50-49-38)21-22-55-24-25-56-26-27-58-40-17-19-42-44(54)31-46(60-48(42)29-40)37-14-8-3-9-15-37/h1-19,28-31,34H,20-27,32-33H2
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| InChIKey |
CHFFBBULXRPOLU-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