General Information of the Compound
| Compound ID |
CP0952248
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| Compound Name |
4-(2-Benzylphenoxy)-1,1-dimethylpiperidin-1-ium Iodide
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| Structure |
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| Formula |
C20H26INO
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| Molecular Weight |
423.338
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| Canonical SMILES |
C[N+]1(C)CCC(Oc2ccccc2Cc2ccccc2)CC1.[I-]
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| InChI |
InChI=1S/C20H26NO.HI/c1-21(2)14-12-19(13-15-21)22-20-11-7-6-10-18(20)16-17-8-4-3-5-9-17;/h3-11,19H,12-16H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
ARPLVFQRTDJRDJ-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