General Information of the Compound
| Compound ID |
CP0414051
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| Compound Name |
6-(4-((3-(Benzyloxy)benzyl)oxy)-6-chlorobenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C27H20ClN3O4S
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| Molecular Weight |
517.994
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(Cl)cc2o1
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| InChI |
InChI=1S/C27H20ClN3O4S/c1-32-27-30-31-14-22(29-26(31)36-27)25-13-21-23(11-19(28)12-24(21)35-25)34-16-18-8-5-9-20(10-18)33-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3
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| InChIKey |
VRIFNZPYWWAZIP-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