General Information of the Compound
| Compound ID |
CP0374165
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| Compound Name |
2,2-diphenyl-2-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]acetonitrile;bromide
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| Structure |
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| Formula |
C29H31N2O+
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| Molecular Weight |
423.58
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| Canonical SMILES |
N#CC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)C2
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| InChI |
InChI=1S/C29H31N2O.BrH/c30-23-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-18-31(24-28,19-17-28)20-21-32-22-25-10-4-1-5-11-25;/h1-15H,16-22,24H2;1H/q+1;/p-1
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| InChIKey |
KDPYXAKZNYGSFT-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