General Information of the Compound
| Compound ID |
CP0571802
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| Compound Name |
2-methoxy-6-[6-methoxy-4-[[3-(2-phenylethyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C29H25N3O4S
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| Molecular Weight |
511.603
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(CCc4ccccc4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H25N3O4S/c1-33-22-14-25(35-18-21-10-6-9-20(13-21)12-11-19-7-4-3-5-8-19)23-16-27(36-26(23)15-22)24-17-32-28(30-24)37-29(31-32)34-2/h3-10,13-17H,11-12,18H2,1-2H3
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| InChIKey |
GCTMAXHWISBRJX-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