General Information of the Compound
| Compound ID |
CP0851746
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| Compound Name |
1-(4-(1H-pyrazol-1-yl)benzyl)-5,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C20H13F2N3O3
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| Molecular Weight |
381.338
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| Canonical SMILES |
O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2c(F)ccc(F)c2c1=O
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| InChI |
InChI=1S/C20H13F2N3O3/c21-15-6-7-16(22)18-17(15)19(26)14(20(27)28)11-24(18)10-12-2-4-13(5-3-12)25-9-1-8-23-25/h1-9,11H,10H2,(H,27,28)
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| InChIKey |
UGQZQJAFHKQUTL-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