General Information of the Compound
| Compound ID |
CP0635969
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| Compound Name |
1-(1-(4-methoxybenzyl)-1H-indol-3-yl)-N,N,N-trimethylmethanaminium iodide
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| Structure |
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| Formula |
C20H25IN2O
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| Molecular Weight |
436.337
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| Canonical SMILES |
COc1ccc(Cn2cc(C[N+](C)(C)C)c3ccccc32)cc1.[I-]
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| InChI |
InChI=1S/C20H25N2O.HI/c1-22(2,3)15-17-14-21(20-8-6-5-7-19(17)20)13-16-9-11-18(23-4)12-10-16;/h5-12,14H,13,15H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
QUEYEZKODGAOHW-UHFFFAOYSA-M
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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