General Information of the Compound
| Compound ID |
CP0069537
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| Compound Name |
(phenylmethyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate
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| Structure |
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| Formula |
C16H15NO7S2
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| Molecular Weight |
397.43
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| Canonical SMILES |
CS(=O)(=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)CC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C16H15NO7S2/c1-26(22,23)13-7-8-15(14(9-13)17(19)20)25(21)11-16(18)24-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
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| InChIKey |
HOPVGZYLIFZCOP-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor