General Information of the Compound
| Compound ID |
CP0910907
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| Compound Name |
4-[Hydroxy(diphenyl)methyl]-1-[2-(methyloxy)ethyl]-1-azoniabicyclo[2.2.2]octane Bromide
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| Structure |
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| Formula |
C23H30BrNO2
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| Molecular Weight |
432.402
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| Canonical SMILES |
COCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2.[Br-]
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| InChI |
InChI=1S/C23H30NO2.BrH/c1-26-19-18-24-15-12-22(13-16-24,14-17-24)23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21;/h2-11,25H,12-19H2,1H3;1H/q+1;/p-1
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| InChIKey |
WUOHKHFXIHJLCK-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