General Information of the Compound
| Compound ID |
CP0104073
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| Compound Name |
N-methyl-N-(4-nitro-2-pentan-3-yloxyphenyl)methanesulfonamide
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| Structure |
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| Formula |
C13H20N2O5S
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| Molecular Weight |
316.379
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| Canonical SMILES |
CCC(CC)Oc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
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| InChI |
InChI=1S/C13H20N2O5S/c1-5-11(6-2)20-13-9-10(15(16)17)7-8-12(13)14(3)21(4,18)19/h7-9,11H,5-6H2,1-4H3
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| InChIKey |
ZEOSZTYOBIHDEK-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