General Information of the Compound
| Compound ID |
CP0477190
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| Compound Name |
2-[4-[2-[2-[2-[4-[[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
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| Structure |
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| Formula |
C48H49N7O10
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| Molecular Weight |
883.959
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| Canonical SMILES |
O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CNCc3cn(CCOCCOCCOc4ccc(cc4)-c4cc(=O)c5ccccc5o4)nn3)nn2)cc1
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| InChI |
InChI=1S/C48H49N7O10/c56-43-29-47(64-45-7-3-1-5-41(43)45)35-9-13-39(14-10-35)62-27-25-60-23-21-58-19-17-54-33-37(50-52-54)31-49-32-38-34-55(53-51-38)18-20-59-22-24-61-26-28-63-40-15-11-36(12-16-40)48-30-44(57)42-6-2-4-8-46(42)65-48/h1-16,29-30,33-34,49H,17-28,31-32H2
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| InChIKey |
OADFUAYYTRFBRG-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