General Information of the Compound
| Compound ID |
CP0433866
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| Compound Name |
[1-[2-[(3-bromophenyl)methoxy]ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol;bromide
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| Structure |
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| Formula |
C29H33BrNO2+
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| Molecular Weight |
507.492
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| Canonical SMILES |
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3cccc(Br)c3)(CC1)CC2
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| InChI |
InChI=1S/C29H33BrNO2.BrH/c30-27-13-7-8-24(22-27)23-33-21-20-31-17-14-28(15-18-31,16-19-31)29(32,25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-13,22,32H,14-21,23H2;1H/q+1;/p-1
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| InChIKey |
ZZGRUJIGZVAXHU-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