General Information of the Compound
| Compound ID |
CP0523769
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| Compound Name |
2-benzylsulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C17H16N2O3S
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| Molecular Weight |
328.393
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| Canonical SMILES |
COc1cc(OC)cc(c1)-c1nnc(SCc2ccccc2)o1
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| InChI |
InChI=1S/C17H16N2O3S/c1-20-14-8-13(9-15(10-14)21-2)16-18-19-17(22-16)23-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
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| InChIKey |
AEWHWKPGZKWULH-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