General Information of the Compound
| Compound ID |
CP0850323
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| Compound Name |
4-[Hydroxy(diphenyl)methyl]-1-[4-(phenyloxy)butyl]-1-azoniabicyclo[2.2.2]octane Bromide
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| Structure |
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| Formula |
C30H36BrNO2
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| Molecular Weight |
522.527
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| Canonical SMILES |
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCCOc3ccccc3)(CC1)CC2.[Br-]
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| InChI |
InChI=1S/C30H36NO2.BrH/c32-30(26-12-4-1-5-13-26,27-14-6-2-7-15-27)29-18-22-31(23-19-29,24-20-29)21-10-11-25-33-28-16-8-3-9-17-28;/h1-9,12-17,32H,10-11,18-25H2;1H/q+1;/p-1
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| InChIKey |
COPKCSVWCOELAC-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