General Information of the Compound
| Compound ID |
CP0550848
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| Compound Name |
N-(4-((3-(Benzyloxy)benzyl)oxy)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-6-yl)acetamide
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| Structure |
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| Formula |
C29H24N4O5S
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| Molecular Weight |
540.601
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(NC(C)=O)cc2o1
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| InChI |
InChI=1S/C29H24N4O5S/c1-18(34)30-21-12-25(37-17-20-9-6-10-22(11-20)36-16-19-7-4-3-5-8-19)23-14-27(38-26(23)13-21)24-15-33-28(31-24)39-29(32-33)35-2/h3-15H,16-17H2,1-2H3,(H,30,34)
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| InChIKey |
KMSOPUWARIAXGO-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