General Information of the Compound
| Compound ID |
CP0916388
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| Compound Name |
1-(4-(1H-pyrrol-1-yl)benzyl)-5-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C21H15FN2O3
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| Molecular Weight |
362.36
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| Canonical SMILES |
O=C(O)c1cn(Cc2ccc(-n3cccc3)cc2)c2cccc(F)c2c1=O
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| InChI |
InChI=1S/C21H15FN2O3/c22-17-4-3-5-18-19(17)20(25)16(21(26)27)13-24(18)12-14-6-8-15(9-7-14)23-10-1-2-11-23/h1-11,13H,12H2,(H,26,27)
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| InChIKey |
AKWUSVGOXKETFG-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