General Information of the Compound
| Compound ID |
CP0521733
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| Compound Name |
6-Fluoro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hydroquinoline-3-carbohydrazide
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| Structure |
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| Formula |
C22H30FN3O4
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| Molecular Weight |
419.497
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| Canonical SMILES |
CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(F)ccc2[nH]c1=O
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| InChI |
InChI=1S/C22H30FN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)
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| InChIKey |
XQTDJNBPGMUXGU-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