General Information of the Compound
| Compound ID |
CP0551902
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[2-[4-[3-[4-(7-fluoro-4-oxochromen-2-yl)phenoxy]propyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C50H44FN3O11
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| Molecular Weight |
881.91
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc(cc4)-c4cc(=O)c5ccc(F)cc5o4)nn3)cc2)c1
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| InChI |
InChI=1S/C50H44FN3O11/c1-58-50(57)36-7-4-6-33(28-36)32-63-49-47(56)42-9-2-3-10-44(42)65-48(49)35-13-18-40(19-14-35)62-27-26-60-25-24-59-23-21-54-31-38(52-53-54)8-5-22-61-39-16-11-34(12-17-39)45-30-43(55)41-20-15-37(51)29-46(41)64-45/h2-4,6-7,9-20,28-31H,5,8,21-27,32H2,1H3
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| InChIKey |
ZRQVRUCQNNKBGB-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