General Information of the Compound
| Compound ID |
CP0559073
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Formula |
C39H38N4O7
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| Molecular Weight |
674.754
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(C)Cc4ccccc4)nn3)cc2)c1
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| InChI |
InChI=1S/C39H38N4O7/c1-42(24-28-9-4-3-5-10-28)25-32-26-43(41-40-32)19-20-47-21-22-48-33-17-15-30(16-18-33)37-38(36(44)34-13-6-7-14-35(34)50-37)49-27-29-11-8-12-31(23-29)39(45)46-2/h3-18,23,26H,19-22,24-25,27H2,1-2H3
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| InChIKey |
BFBROVVYIPVQJI-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
Protein ID: PT02516, Multidrug resistance-associated protein 1