General Information of the Compound
| Compound ID |
CP0164825
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| Compound Name |
1-(3,4-dihydroxyphenyl)-2-(1-(4-methoxyphenyl)-1H-tetrazol-5-ylthio)ethanone
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| Structure |
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| Formula |
C16H14N4O4S
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| Molecular Weight |
358.379
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| Canonical SMILES |
COc1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C16H14N4O4S/c1-24-12-5-3-11(4-6-12)20-16(17-18-19-20)25-9-15(23)10-2-7-13(21)14(22)8-10/h2-8,21-22H,9H2,1H3
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| InChIKey |
GDWOAVFPULCMCY-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