General Information of the Compound
| Compound ID |
CP0845449
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| Compound Name |
[1-(2-Aminoethyl)-1-azoniabicyclo[2.2.2]oct-4-yl](diphenyl)-methanolate bromide
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| Structure |
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| Formula |
C22H29BrN2O
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| Molecular Weight |
417.391
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| Canonical SMILES |
NCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2.[Br-]
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| InChI |
InChI=1S/C22H29N2O.BrH/c23-14-18-24-15-11-21(12-16-24,13-17-24)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-10,25H,11-18,23H2;1H/q+1;/p-1
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| InChIKey |
PTQLWOGBUZTLRW-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