General Information of the Compound
| Compound ID |
CP0858748
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| Compound Name |
1,1'-(butane-1,4-diyl)bis(8-isopropyl-2-methylisoquinolinium)iodide
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| Structure |
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| Formula |
C30H38I2N2
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| Molecular Weight |
680.456
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| Canonical SMILES |
CC(C)c1cccc2cc[n+](C)c(CCCCc3c4c(C(C)C)cccc4cc[n+]3C)c12.[I-].[I-]
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| InChI |
InChI=1S/C30H38N2.2HI/c1-21(2)25-13-9-11-23-17-19-31(5)27(29(23)25)15-7-8-16-28-30-24(18-20-32(28)6)12-10-14-26(30)22(3)4;;/h9-14,17-22H,7-8,15-16H2,1-6H3;2*1H/q+2;;/p-2
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| InChIKey |
XCCNMOYXLAELDP-UHFFFAOYSA-L
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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
Protein ID: PT05865, Small conductance calcium-activated potassium channel protein 2
Protein ID: PT04088, Small conductance calcium-activated potassium channel protein 3