General Information of the Compound
| Compound ID |
CP0383379
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| Compound Name |
N-methyl-N-[4-nitro-2-[(4-nitrophenyl)methoxy]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C15H15N3O7S
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| Molecular Weight |
381.366
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| Canonical SMILES |
CN(c1ccc(cc1OCc1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O)S(C)(=O)=O
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| InChI |
InChI=1S/C15H15N3O7S/c1-16(26(2,23)24)14-8-7-13(18(21)22)9-15(14)25-10-11-3-5-12(6-4-11)17(19)20/h3-9H,10H2,1-2H3
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| InChIKey |
RJTNOOQZIVJSGJ-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