General Information of the Compound
| Compound ID |
CP0442751
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| Compound Name |
N-methyl-N-[4-nitro-2-(2-phenylethoxy)phenyl]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 |
CN(c1ccc(cc1OCCc1ccccc1)[N+]([O-])=O)S(C)(=O)=O
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| InChI |
InChI=1S/C16H18N2O5S/c1-17(24(2,21)22)15-9-8-14(18(19)20)12-16(15)23-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
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| InChIKey |
IGJVBXXGAFENQN-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