General Information of the Compound
| Compound ID |
CP0525910
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| Compound Name |
N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitrophenyl]methanesulfonamide
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| Structure |
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| Formula |
C16H18N2O5S
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| Molecular Weight |
350.396
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| Canonical SMILES |
Cc1ccc(C)c(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)c1
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| InChI |
InChI=1S/C16H18N2O5S/c1-11-4-5-12(2)13(8-11)10-23-16-9-14(18(19)20)6-7-15(16)17-24(3,21)22/h4-9,17H,10H2,1-3H3
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| InChIKey |
KOHJBCNIVUHEMV-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