General Information of the Compound
| Compound ID |
CP0054936
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| Compound Name |
2-Methoxy-4-nitro-N-(pyridin-3-yl)benzenesulfonamide
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| Structure |
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| Formula |
C12H11N3O5S
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| Molecular Weight |
309.303
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| Canonical SMILES |
COc1cc(ccc1S(=O)(=O)Nc1cccnc1)[N+]([O-])=O
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| InChI |
InChI=1S/C12H11N3O5S/c1-20-11-7-10(15(16)17)4-5-12(11)21(18,19)14-9-3-2-6-13-8-9/h2-8,14H,1H3
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| InChIKey |
VDCBJNGAYFKKOV-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