General Information of the Compound
| Compound ID |
CP0946281
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| Compound Name |
N-(4-(1-Benzyl-7-bromo-4-oxo-1,4-dihydroquinoline-3-carboxamido)butyl)-4-((4,5-dihydroisoxazol-3-yl)oxy)-N,N-dimethylbut-2-yn-1-aminium bromide
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| Structure |
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| Formula |
C30H34Br2N4O4
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| Molecular Weight |
674.434
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| Canonical SMILES |
C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O.[Br-]
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| InChI |
InChI=1S/C30H33BrN4O4.BrH/c1-35(2,17-8-9-18-38-28-14-19-39-33-28)16-7-6-15-32-30(37)26-22-34(21-23-10-4-3-5-11-23)27-20-24(31)12-13-25(27)29(26)36;/h3-5,10-13,20,22H,6-7,14-19,21H2,1-2H3;1H
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| InChIKey |
FWDNRBMZAJXAAP-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