General Information of the Compound
| Compound ID |
CP0545212
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| Compound Name |
6-(6-Chloro-4-((3-(5-methoxypyrazin-2-yl)benzyl)oxy)benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C25H18ClN5O4S
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| Molecular Weight |
519.97
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3cnc(OC)cn3)cc(Cl)cc2o1
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| InChI |
InChI=1S/C25H18ClN5O4S/c1-32-23-11-27-18(10-28-23)15-5-3-4-14(6-15)13-34-20-7-16(26)8-21-17(20)9-22(35-21)19-12-31-24(29-19)36-25(30-31)33-2/h3-12H,13H2,1-2H3
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| InChIKey |
ZEQHWLMGKABYOU-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