General Information of the Compound
| Compound ID |
CP0684618
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| Compound Name |
5-(4-((1-isopropyl-1H-benzo[d]imidazol-2-yl)methoxy)benzyl)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C21H21N3O3S
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| Molecular Weight |
395.484
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| Canonical SMILES |
CC(C)n1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21
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| InChI |
InChI=1S/C21H21N3O3S/c1-13(2)24-17-6-4-3-5-16(17)22-19(24)12-27-15-9-7-14(8-10-15)11-18-20(25)23-21(26)28-18/h3-10,13,18H,11-12H2,1-2H3,(H,23,25,26)
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| InChIKey |
AEIZYQAAEIHWFN-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