General Information of the Compound
| Compound ID |
CP0442753
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| Compound Name |
N-methyl-N-[4-nitro-2-[(2-phenylphenyl)methoxy]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C21H20N2O5S
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| Molecular Weight |
412.467
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| Canonical SMILES |
CN(c1ccc(cc1OCc1ccccc1-c1ccccc1)[N+]([O-])=O)S(C)(=O)=O
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| InChI |
InChI=1S/C21H20N2O5S/c1-22(29(2,26)27)20-13-12-18(23(24)25)14-21(20)28-15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3
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| InChIKey |
STFSBIKCKYKMEV-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