General Information of the Compound
| Compound ID |
CP0470372
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| Compound Name |
6-(4-((3-(Benzyloxy)benzyl)oxy)-7-chloro-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C28H22ClN3O5S
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| Molecular Weight |
548.02
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC)c(Cl)c2o1
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| InChI |
InChI=1S/C28H22ClN3O5S/c1-33-24-13-22(36-16-18-9-6-10-19(11-18)35-15-17-7-4-3-5-8-17)20-12-23(37-26(20)25(24)29)21-14-32-27(30-21)38-28(31-32)34-2/h3-14H,15-16H2,1-2H3
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| InChIKey |
YCGJFVQLZVVCRF-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