General Information of the Compound
| Compound ID |
CP0421253
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[4-[4-[1-[2-[2-[4-[3-[(3-methoxycarbonylphenyl)methoxy]-4-oxochromen-2-yl]phenoxy]ethoxy]ethyl]triazol-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C66H56N6O14
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| Molecular Weight |
1157.202
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(nn3)-c3ccc(cc3)-c3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1
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| InChI |
InChI=1S/C66H56N6O14/c1-77-65(75)49-11-7-9-43(37-49)41-83-63-59(73)53-13-3-5-15-57(53)85-61(63)47-21-25-51(26-22-47)81-35-33-79-31-29-71-39-55(67-69-71)45-17-19-46(20-18-45)56-40-72(70-68-56)30-32-80-34-36-82-52-27-23-48(24-28-52)62-64(60(74)54-14-4-6-16-58(54)86-62)84-42-44-10-8-12-50(38-44)66(76)78-2/h3-28,37-40H,29-36,41-42H2,1-2H3
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| InChIKey |
PGIAUFFQHWYDDN-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