General Information of the Compound
| Compound ID |
CP0635968
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| Compound Name |
1-(1-(4-hydroxybenzyl)-1H-indol-3-yl)-N,N,N-trimethylmethanaminium iodide
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| Structure |
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| Formula |
C19H23IN2O
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| Molecular Weight |
422.31
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| Canonical SMILES |
C[N+](C)(C)Cc1cn(Cc2ccc(O)cc2)c2ccccc12.[I-]
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| InChI |
InChI=1S/C19H22N2O.HI/c1-21(2,3)14-16-13-20(19-7-5-4-6-18(16)19)12-15-8-10-17(22)11-9-15;/h4-11,13H,12,14H2,1-3H3;1H
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| InChIKey |
ZHNGKJKONMFCDY-UHFFFAOYSA-N
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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