General Information of the Compound
| Compound ID |
CP0904250
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| Compound Name |
4-(Hydroxy{bis[4-(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 |
COc1ccc(C(O)(c2ccc(OC)cc2)C23CC[N+](CCOCc4ccccc4)(CC2)CC3)cc1.[Br-]
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| InChI |
InChI=1S/C31H38NO4.BrH/c1-34-28-12-8-26(9-13-28)31(33,27-10-14-29(35-2)15-11-27)30-16-19-32(20-17-30,21-18-30)22-23-36-24-25-6-4-3-5-7-25;/h3-15,33H,16-24H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
GYBJLQNXDYKARM-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