General Information of the Compound
| Compound ID |
CP0495571
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| Compound Name |
4-[2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethoxymethyl]benzonitrile;bromide
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| Structure |
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| Formula |
C30H33N2O2+
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| Molecular Weight |
453.606
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| Canonical SMILES |
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(cc3)C#N)(CC1)CC2
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| InChI |
InChI=1S/C30H33N2O2.BrH/c31-23-25-11-13-26(14-12-25)24-34-22-21-32-18-15-29(16-19-32,17-20-32)30(33,27-7-3-1-4-8-27)28-9-5-2-6-10-28;/h1-14,33H,15-22,24H2;1H/q+1;/p-1
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| InChIKey |
LEMBXLWSTKZAQB-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