General Information of the Compound
| Compound ID |
CP0874762
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| Compound Name |
1-((5-(4-fluorophenyl)pyridin-2-yl)methyl)-5-hydroxy-4-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C22H19FN2O4
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| Molecular Weight |
394.402
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| Canonical SMILES |
O=C(O)c1cn(Cc2ccc(-c3ccc(F)cc3)cn2)c2c(c1=O)C(O)CCC2
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| InChI |
InChI=1S/C22H19FN2O4/c23-15-7-4-13(5-8-15)14-6-9-16(24-10-14)11-25-12-17(22(28)29)21(27)20-18(25)2-1-3-19(20)26/h4-10,12,19,26H,1-3,11H2,(H,28,29)
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| InChIKey |
LYBSBOMFEFIOAX-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