General Information of the Compound
| Compound ID |
CP0919892
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| Compound Name |
(3-endo)-3-[2,2-Bis(3,5-difluorophenyl)-2-hydroxyethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane Bromide
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| Formula |
C23H26BrF4NO
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| Molecular Weight |
488.363
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)C2.[Br-]
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| InChI |
InChI=1S/C23H26F4NO.BrH/c1-28(2)21-3-4-22(28)6-14(5-21)13-23(29,15-7-17(24)11-18(25)8-15)16-9-19(26)12-20(27)10-16;/h7-12,14,21-22,29H,3-6,13H2,1-2H3;1H/q+1;/p-1/t14-,21+,22-;
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| InChIKey |
NKDNDPJSRKHLTQ-MLEGESEGSA-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