General Information of the Compound
| Compound ID |
CP0526132
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| Compound Name |
bis(3-fluorophenyl)-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol;bromide
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| Structure |
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| Formula |
C29H32F2NO2+
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| Molecular Weight |
464.576
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| Canonical SMILES |
OC(c1cccc(F)c1)(c1cccc(F)c1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
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| InChI |
InChI=1S/C29H32F2NO2.BrH/c30-26-10-4-8-24(20-26)29(33,25-9-5-11-27(31)21-25)28-12-15-32(16-13-28,17-14-28)18-19-34-22-23-6-2-1-3-7-23;/h1-11,20-21,33H,12-19,22H2;1H/q+1;/p-1
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| InChIKey |
FTFQOHPIVJFSFN-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