General Information of the Compound
| Compound ID |
CP0392716
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| Compound Name |
2-[4-[2-[2-[2-[4-[[benzyl-[2-(4-oxo-2-phenylchromen-7-yl)oxyethyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-3-phenylmethoxychromen-4-one
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| Structure |
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| Formula |
C55H50N4O9
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| Molecular Weight |
911.024
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| Canonical SMILES |
O=c1cc(oc2cc(OCCN(Cc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)Cc3ccccc3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C55H50N4O9/c60-49-35-51(42-16-8-3-9-17-42)67-52-34-46(24-25-47(49)52)64-29-26-58(36-40-12-4-1-5-13-40)37-44-38-59(57-56-44)27-28-62-30-31-63-32-33-65-45-22-20-43(21-23-45)54-55(66-39-41-14-6-2-7-15-41)53(61)48-18-10-11-19-50(48)68-54/h1-25,34-35,38H,26-33,36-37,39H2
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| InChIKey |
SWCDVWZUGYTBHV-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