General Information of the Compound
| Compound ID |
CP0911929
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| Compound Name |
(3-endo)-3-[2,2-Bis(2-methylphenyl)ethenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane Bromide
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| Formula |
C25H32BrN
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| Molecular Weight |
426.442
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| Canonical SMILES |
Cc1ccccc1C(=C[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1C.[Br-]
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| InChI |
InChI=1S/C25H32N.BrH/c1-18-9-5-7-11-23(18)25(24-12-8-6-10-19(24)2)17-20-15-21-13-14-22(16-20)26(21,3)4;/h5-12,17,20-22H,13-16H2,1-4H3;1H/q+1;/p-1/t20-,21+,22-;
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| InChIKey |
XQQJNQGIQPUNDW-XQJPQCLXSA-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