General Information of the Compound
| Compound ID |
CP0523766
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| Compound Name |
2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-5-methylphenol
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| Structure |
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| Formula |
C16H14N2O2S
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| Molecular Weight |
298.367
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| Canonical SMILES |
Cc1ccc(-c2nnc(SCc3ccccc3)o2)c(O)c1
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| InChI |
InChI=1S/C16H14N2O2S/c1-11-7-8-13(14(19)9-11)15-17-18-16(20-15)21-10-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3
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| InChIKey |
VLLLMNKBBRVQHY-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