General Information of the Compound
| Compound ID |
CP0436985
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| Compound Name |
N-methyl-N-(4-nitro-2-nonoxyphenyl)methanesulfonamide
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| Structure |
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| Formula |
C17H28N2O5S
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| Molecular Weight |
372.487
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| Canonical SMILES |
CCCCCCCCCOc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
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| InChI |
InChI=1S/C17H28N2O5S/c1-4-5-6-7-8-9-10-13-24-17-14-15(19(20)21)11-12-16(17)18(2)25(3,22)23/h11-12,14H,4-10,13H2,1-3H3
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| InChIKey |
PNMMIVIDHSNQJJ-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