General Information of the Compound
| Compound ID |
CP0488214
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| Compound Name |
2-(2-methoxyphenyl)-5-[2-(4-nitrophenyl)sulfanylphenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C21H15N3O4S
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| Molecular Weight |
405.435
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| Canonical SMILES |
COc1ccccc1-c1nnc(o1)-c1ccccc1Sc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H15N3O4S/c1-27-18-8-4-2-6-16(18)20-22-23-21(28-20)17-7-3-5-9-19(17)29-15-12-10-14(11-13-15)24(25)26/h2-13H,1H3
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| InChIKey |
LWYQAHVWDIZJMI-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