General Information of the Compound
| Compound ID |
CP0636486
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| Compound Name |
1-methyl-3-((3-((trimethylammonio)methyl)-1H-indol-1-yl)methyl)pyridin-1-ium iodide
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| Structure |
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| Formula |
C19H25I2N3
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| Molecular Weight |
549.238
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| Canonical SMILES |
C[n+]1cccc(Cn2cc(C[N+](C)(C)C)c3ccccc32)c1.[I-].[I-]
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| InChI |
InChI=1S/C19H25N3.2HI/c1-20-11-7-8-16(12-20)13-21-14-17(15-22(2,3)4)18-9-5-6-10-19(18)21;;/h5-12,14H,13,15H2,1-4H3;2*1H/q+2;;/p-2
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| InChIKey |
DJAHMDFPFZRAPV-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