General Information of the Compound
| Compound ID |
CP0410569
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| Compound Name |
5-(benzhydrylsulfinylmethyl)-3-methyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C17H16N2O2S
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| Molecular Weight |
312.394
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| Canonical SMILES |
Cc1noc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1
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| InChI |
InChI=1S/C17H16N2O2S/c1-13-18-16(21-19-13)12-22(20)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3
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| InChIKey |
OONUNJKRKNTVNA-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