General Information of the Compound
| Compound ID |
CP0867692
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| Compound Name |
1,1'-(1,3-phenylenebis(methylene))bis(8-isopropyl-2-methylisoquinolinium)iodide
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| Structure |
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| Formula |
C34H38I2N2
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| Molecular Weight |
728.5
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| Canonical SMILES |
CC(C)c1cccc2cc[n+](C)c(Cc3cccc(Cc4c5c(C(C)C)cccc5cc[n+]4C)c3)c12.[I-].[I-]
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| InChI |
InChI=1S/C34H38N2.2HI/c1-23(2)29-14-8-12-27-16-18-35(5)31(33(27)29)21-25-10-7-11-26(20-25)22-32-34-28(17-19-36(32)6)13-9-15-30(34)24(3)4;;/h7-20,23-24H,21-22H2,1-6H3;2*1H/q+2;;/p-2
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| InChIKey |
WKAAVKFFODUYEE-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: PT06093, Small conductance calcium-activated potassium channel protein 2
Protein ID: PT05865, Small conductance calcium-activated potassium channel protein 2
Protein ID: PT04088, Small conductance calcium-activated potassium channel protein 3