General Information of the Compound
| Compound ID |
CP0894656
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| Compound Name |
(3-endo)-1,1-Bis(3-fluoro-2-methylphenyl)-2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-3-yl)ethanol Bromide
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| Formula |
C25H32BrF2NO
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| Molecular Weight |
480.437
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| Canonical SMILES |
Cc1c(F)cccc1C(O)(C[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1cccc(F)c1C.[Br-]
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| InChI |
InChI=1S/C25H32F2NO.BrH/c1-16-21(7-5-9-23(16)26)25(29,22-8-6-10-24(27)17(22)2)15-18-13-19-11-12-20(14-18)28(19,3)4;/h5-10,18-20,29H,11-15H2,1-4H3;1H/q+1;/p-1/t18-,19+,20-;
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| InChIKey |
KNSVMWRWDZXNMX-XLMMQIPYSA-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