General Information of the Compound
| Compound ID |
CP0932684
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| Compound Name |
5-Butyl-4-chloro-N,N'-bis{[2'-[2H-tetrazol-5-yl]biphenyl-4-yl]methyl}imidazolium bromide
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| Structure |
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| Formula |
C35H32BrClN10
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| Molecular Weight |
708.068
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| Canonical SMILES |
CCCCc1c(Cl)[n+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[Br-]
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| InChI |
InChI=1S/C35H32ClN10.BrH/c1-2-3-12-32-33(36)46(22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)35-39-43-44-40-35)23-45(32)21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)34-37-41-42-38-34;/h4-11,13-20,23H,2-3,12,21-22H2,1H3,(H,37,38,41,42)(H,39,40,43,44);1H/q+1;/p-1
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| InChIKey |
JJTDADRHYCCKFZ-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