General Information of the Compound
| Compound ID |
CP0474226
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| Compound Name |
[1-[2-[(4-methylphenyl)methoxy]ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol;bromide
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| Structure |
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| Formula |
C30H36NO2+
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| Molecular Weight |
442.623
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| Canonical SMILES |
Cc1ccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C30H36NO2.BrH/c1-25-12-14-26(15-13-25)24-33-23-22-31-19-16-29(17-20-31,18-21-31)30(32,27-8-4-2-5-9-27)28-10-6-3-7-11-28;/h2-15,32H,16-24H2,1H3;1H/q+1;/p-1
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| InChIKey |
SJKKJIJOXFFDLP-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