General Information of the Compound
| Compound ID |
CP0636485
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| Compound Name |
N,N,N-trimethyl-4-((3-((trimethylammonio)methyl)-1H-indol-1-yl)methyl)benzenaminium diiodide
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| Structure |
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| Formula |
C22H31I2N3
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| Molecular Weight |
591.319
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| Canonical SMILES |
C[N+](C)(C)Cc1cn(Cc2ccc([N+](C)(C)C)cc2)c2ccccc12.[I-].[I-]
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| InChI |
InChI=1S/C22H31N3.2HI/c1-24(2,3)17-19-16-23(22-10-8-7-9-21(19)22)15-18-11-13-20(14-12-18)25(4,5)6;;/h7-14,16H,15,17H2,1-6H3;2*1H/q+2;;/p-2
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| InChIKey |
CSTPIRQRFKKZKX-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