General Information of the Compound
| Compound ID |
CP0919440
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| Compound Name |
4-[Hydroxy(diphenyl)methyl]-1-(2-{[(2-methylphenyl)methyl]oxy}ethyl)-1-azoniabicyclo[2.2.2]octane
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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 |
Cc1ccccc1COCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2.[Br-]
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| InChI |
InChI=1S/C30H36NO2.BrH/c1-25-10-8-9-11-26(25)24-33-23-22-31-19-16-29(17-20-31,18-21-31)30(32,27-12-4-2-5-13-27)28-14-6-3-7-15-28;/h2-15,32H,16-24H2,1H3;1H/q+1;/p-1
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| InChIKey |
JJTVLFWIZIXSQE-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