General Information of the Compound
| Compound ID |
CP0395790
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| Compound Name |
2-benzylsulfanyl-5-(2-nitrophenyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C15H11N3O3S
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| Molecular Weight |
313.338
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1-c1nnc(SCc2ccccc2)o1
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| InChI |
InChI=1S/C15H11N3O3S/c19-18(20)13-9-5-4-8-12(13)14-16-17-15(21-14)22-10-11-6-2-1-3-7-11/h1-9H,10H2
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| InChIKey |
IYVWYIATVWHVEH-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