General Information of the Compound
| Compound ID |
CP0374166
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| Compound Name |
diphenyl-[1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol;bromide
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| Structure |
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| Formula |
C30H36NO+
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| Molecular Weight |
426.624
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| Canonical SMILES |
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCCc3ccccc3)(CC1)CC2
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| InChI |
InChI=1S/C30H36NO.BrH/c32-30(27-15-6-2-7-16-27,28-17-8-3-9-18-28)29-19-23-31(24-20-29,25-21-29)22-11-10-14-26-12-4-1-5-13-26;/h1-9,12-13,15-18,32H,10-11,14,19-25H2;1H/q+1;/p-1
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| InChIKey |
TUOUSRXPEXGSJA-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