General Information of the Compound
| Compound ID |
CP0967875
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| Compound Name |
2-Butyl-N,N'-bis{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}imidazolium bromide
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| Structure |
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| Formula |
C35H33BrN10
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| Molecular Weight |
673.623
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| Canonical SMILES |
CCCCc1n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[Br-]
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| InChI |
InChI=1S/C35H33N10.BrH/c1-2-3-12-33-44(23-25-13-17-27(18-14-25)29-8-4-6-10-31(29)34-36-40-41-37-34)21-22-45(33)24-26-15-19-28(20-16-26)30-9-5-7-11-32(30)35-38-42-43-39-35;/h4-11,13-22H,2-3,12,23-24H2,1H3,(H,36,37,40,41)(H,38,39,42,43);1H/q+1;/p-1
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| InChIKey |
DKOWDYNVUNRFKN-UHFFFAOYSA-M
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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