General Information of the Compound
| Compound ID |
CP0680635
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| Compound Name |
5-(4-((1-isobutyl-1H-benzo[d]imidazol-2-yl)methoxy)benzyl)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C22H23N3O3S
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| Molecular Weight |
409.511
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| Canonical SMILES |
CC(C)Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21
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| InChI |
InChI=1S/C22H23N3O3S/c1-14(2)12-25-18-6-4-3-5-17(18)23-20(25)13-28-16-9-7-15(8-10-16)11-19-21(26)24-22(27)29-19/h3-10,14,19H,11-13H2,1-2H3,(H,24,26,27)
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| InChIKey |
BRRDPENMDBWXNL-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