General Information of the Compound
| Compound ID |
CP0501932
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| Compound Name |
[1-[2-[(3-methoxyphenyl)methoxy]ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol;bromide
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| Structure |
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| Formula |
C30H36NO3+
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| Molecular Weight |
458.622
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| Canonical SMILES |
COc1cccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C30H36NO3.BrH/c1-33-28-14-8-9-25(23-28)24-34-22-21-31-18-15-29(16-19-31,17-20-31)30(32,26-10-4-2-5-11-26)27-12-6-3-7-13-27;/h2-14,23,32H,15-22,24H2,1H3;1H/q+1;/p-1
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| InChIKey |
ROCIDKGHPSNBKL-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