General Information of the Compound
| Compound ID |
CP0858221
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| Compound Name |
6-(1-Benzyl-7-bromo-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 |
C32H38Br2N4O4
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| Molecular Weight |
702.488
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| Canonical SMILES |
C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O.[Br-]
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| InChI |
InChI=1S/C32H37BrN4O4.BrH/c1-37(2,19-10-11-20-40-30-16-21-41-35-30)18-9-4-3-8-17-34-32(39)28-24-36(23-25-12-6-5-7-13-25)29-22-26(33)14-15-27(29)31(28)38;/h5-7,12-15,22,24H,3-4,8-9,16-21,23H2,1-2H3;1H
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| InChIKey |
JZQPSVQKVNRBQH-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