General Information of the Compound
| Compound ID |
CP0922019
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| Compound Name |
5-fluoro-1-(4-(3-methyl-1H-pyrazol-1-yl)benzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C21H16FN3O3
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| Molecular Weight |
377.375
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| Canonical SMILES |
Cc1ccn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)cc2)n1
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| InChI |
InChI=1S/C21H16FN3O3/c1-13-9-10-25(23-13)15-7-5-14(6-8-15)11-24-12-16(21(27)28)20(26)19-17(22)3-2-4-18(19)24/h2-10,12H,11H2,1H3,(H,27,28)
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| InChIKey |
WKVMEWATYXVAHZ-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