General Information of the Compound
| Compound ID |
CP0375826
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| Compound Name |
1-[2-(4-chlorophenyl)-5-(4-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
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| Structure |
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| Formula |
C16H12ClN3O4
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| Molecular Weight |
345.742
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| Canonical SMILES |
CC(=O)N1N=C(OC1c1ccc(Cl)cc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H12ClN3O4/c1-10(21)19-16(12-2-6-13(17)7-3-12)24-15(18-19)11-4-8-14(9-5-11)20(22)23/h2-9,16H,1H3
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| InChIKey |
HYQTUEQYCYTXOW-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