General Information of the Compound
| Compound ID |
CP0329730
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| Compound Name |
1-(3,4-dihydroxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
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| Structure |
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| Formula |
C16H14N2O4S
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| Molecular Weight |
330.365
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| Canonical SMILES |
COc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1
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| InChI |
InChI=1S/C16H14N2O4S/c1-22-10-3-4-11-12(7-10)18-16(17-11)23-8-15(21)9-2-5-13(19)14(20)6-9/h2-7,19-20H,8H2,1H3,(H,17,18)
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| InChIKey |
APROZIDTZCKCHQ-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