General Information of the Compound
| Compound ID |
CP0925693
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| Compound Name |
5-fluoro-4-oxo-1-(4-(3-(trifluoromethyl)-1H-pyrazol-1-yl)benzyl)-1,4-dihydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C21H13F4N3O3
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| Molecular Weight |
431.345
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| Canonical SMILES |
O=C(O)c1cn(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2cccc(F)c2c1=O
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| InChI |
InChI=1S/C21H13F4N3O3/c22-15-2-1-3-16-18(15)19(29)14(20(30)31)11-27(16)10-12-4-6-13(7-5-12)28-9-8-17(26-28)21(23,24)25/h1-9,11H,10H2,(H,30,31)
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| InChIKey |
LEPJIKBAIBAJEH-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