General Information of the Compound
| Compound ID |
CP0477189
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| Compound Name |
2-[4-[2-[2-[2-[4-[[benzyl-[[1-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-6-methylchromen-4-one
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| Structure |
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| Formula |
C57H59N7O10
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| Molecular Weight |
1002.138
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(Cc3cn(CCOCCOCCOc4ccc(cc4)-c4cc(=O)c5cc(C)ccc5o4)nn3)Cc3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C57H59N7O10/c1-41-8-18-54-50(32-41)52(65)34-56(73-54)44-10-14-48(15-11-44)71-30-28-69-26-24-67-22-20-63-39-46(58-60-63)37-62(36-43-6-4-3-5-7-43)38-47-40-64(61-59-47)21-23-68-25-27-70-29-31-72-49-16-12-45(13-17-49)57-35-53(66)51-33-42(2)9-19-55(51)74-57/h3-19,32-35,39-40H,20-31,36-38H2,1-2H3
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| InChIKey |
NIMAMSMOJAYPBH-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