General Information of the Compound
| Compound ID |
CP0530114
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| Compound Name |
2-methoxy-6-[6-methoxy-4-(2-phenylethoxy)-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C22H19N3O4S
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| Molecular Weight |
421.478
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCCc3ccccc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C22H19N3O4S/c1-26-15-10-18(28-9-8-14-6-4-3-5-7-14)16-12-20(29-19(16)11-15)17-13-25-21(23-17)30-22(24-25)27-2/h3-7,10-13H,8-9H2,1-2H3
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| InChIKey |
BIUBITCKFNNKPO-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