General Information of the Compound
| Compound ID |
CP0950197
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| Compound Name |
6-(1-Benzyl-7-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxamido)-N-(4-((4,5-dihydroisoxazol-3-yl)oxy)but-2-yn-1-yl)-N,N-dimethylhexan-1-aminium bromide
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| Structure |
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| Formula |
C32H37BrClFN4O4
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| Molecular Weight |
676.027
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| Canonical SMILES |
C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O.[Br-]
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| InChI |
InChI=1S/C32H36ClFN4O4.BrH/c1-38(2,17-10-11-18-41-30-14-19-42-36-30)16-9-4-3-8-15-35-32(40)26-23-37(22-24-12-6-5-7-13-24)29-21-27(33)28(34)20-25(29)31(26)39;/h5-7,12-13,20-21,23H,3-4,8-9,14-19,22H2,1-2H3;1H
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| InChIKey |
UBIGTPLMPUPFPJ-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