General Information of the Compound
| Compound ID |
CP0967874
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| Compound Name |
4-Butyl-2-hydroxymethyl-N,N'-bis{[2'-carboxybiphenyl-4-yl]methyl}imidazolium bromide
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| Structure |
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| Formula |
C36H35BrN2O5
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| Molecular Weight |
655.589
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| Canonical SMILES |
CCCCc1c[n+](Cc2ccc(-c3ccccc3C(=O)O)cc2)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1.[Br-]
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| InChI |
InChI=1S/C36H34N2O5.BrH/c1-2-3-8-29-23-37(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)35(40)41)34(24-39)38(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)36(42)43;/h4-7,9-20,23,39H,2-3,8,21-22,24H2,1H3,(H-,40,41,42,43);1H
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| InChIKey |
JCKRMUBYZJVCEC-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