General Information of the Compound
| Compound ID |
CP0443975
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[4-[4-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]butyl]triazol-1-yl]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C50H45N3O10
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| Molecular Weight |
847.921
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc(cc4)-c4cc(=O)c5cc(C)ccc5o4)nn3)cc2)c1
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| InChI |
InChI=1S/C50H45N3O10/c1-33-13-22-45-42(28-33)43(54)30-46(62-45)35-14-18-39(19-15-35)59-24-6-5-10-38-31-53(52-51-38)23-25-58-26-27-60-40-20-16-36(17-21-40)48-49(47(55)41-11-3-4-12-44(41)63-48)61-32-34-8-7-9-37(29-34)50(56)57-2/h3-4,7-9,11-22,28-31H,5-6,10,23-27,32H2,1-2H3
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| InChIKey |
UPRYVYNDEGFWFD-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