General Information of the Compound
| Compound ID |
CP0428751
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| Compound Name |
6-Ethanesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicotinamide
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| Structure |
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| Formula |
C14H13FN2O4S
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| Molecular Weight |
324.333
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C14H13FN2O4S/c1-2-22(20,21)13-8-3-10(9-17(13)19)14(18)16-12-6-4-11(15)5-7-12/h3-9H,2H2,1H3,(H,16,18)
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| InChIKey |
GYTDPDSEJRDDCB-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