General Information of the Compound
| Compound ID |
CP0455698
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| Compound Name |
3-[5-(4-Fluoro-phenylcarbamoyl)-1-oxy-pyridine-2-sulfonyl]-benzoic acid
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| Structure |
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| Formula |
C19H13FN2O6S
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| Molecular Weight |
416.386
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| Canonical SMILES |
OC(=O)c1cccc(c1)S(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C19H13FN2O6S/c20-14-5-7-15(8-6-14)21-18(23)13-4-9-17(22(26)11-13)29(27,28)16-3-1-2-12(10-16)19(24)25/h1-11H,(H,21,23)(H,24,25)
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| InChIKey |
AFLYDJQMACMKQP-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