General Information of the Compound
| Compound ID |
CP0521152
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| Compound Name |
2-(5-tert-Butyl-1H-benzoimidazol-2-ylsulfanyl)-1-(3,4-dihydroxy-phenyl)-ethanone
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| Structure |
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| Formula |
C19H20N2O3S
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| Molecular Weight |
356.447
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| Canonical SMILES |
CC(C)(C)c1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1
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| InChI |
InChI=1S/C19H20N2O3S/c1-19(2,3)12-5-6-13-14(9-12)21-18(20-13)25-10-17(24)11-4-7-15(22)16(23)8-11/h4-9,22-23H,10H2,1-3H3,(H,20,21)
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| InChIKey |
YLKZESHCJSYKJX-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