General Information of the Compound
| Compound ID |
CP0029277
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| Compound Name |
4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
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| Structure |
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| Formula |
C18H14FN3O5
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| Molecular Weight |
371.324
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| Canonical SMILES |
CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12
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| InChI |
InChI=1S/C18H14FN3O5/c1-20-12-7-9(19)6-11-14(12)22-17(25)13(15(11)23)16(24)21-10-4-2-8(3-5-10)18(26)27/h2-7,20H,1H3,(H,21,24)(H,26,27)(H2,22,23,25)
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| InChIKey |
ACSDSFPAGHERCC-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