General Information of the Compound
| Compound ID |
CP0142973
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| Compound Name |
1-(4-nitro-5-phenylsulfanylthiophen-2-yl)ethanone
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| Structure |
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| Formula |
C12H9NO3S2
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| Molecular Weight |
279.342
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| Canonical SMILES |
CC(=O)c1cc(c(Sc2ccccc2)s1)[N+]([O-])=O
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| InChI |
InChI=1S/C12H9NO3S2/c1-8(14)11-7-10(13(15)16)12(18-11)17-9-5-3-2-4-6-9/h2-7H,1H3
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| InChIKey |
WZNUDHSRSDPPHZ-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