General Information of the Compound
| Compound ID |
CP0910895
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| Compound Name |
4-(Hydroxy{bis[3-(methyloxy)phenyl]}methyl)-1-{2-[(phenylmethyl)oxy]ethyl}-1-azoniabicyclo[2.2.2]octane Bromide
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| Structure |
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| Formula |
C31H38BrNO4
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| Molecular Weight |
568.552
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| Canonical SMILES |
COc1cccc(C(O)(c2cccc(OC)c2)C23CC[N+](CCOCc4ccccc4)(CC2)CC3)c1.[Br-]
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| InChI |
InChI=1S/C31H38NO4.BrH/c1-34-28-12-6-10-26(22-28)31(33,27-11-7-13-29(23-27)35-2)30-14-17-32(18-15-30,19-16-30)20-21-36-24-25-8-4-3-5-9-25;/h3-13,22-23,33H,14-21,24H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
FQGXKIQQELWWLZ-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