General Information of the Compound
| Compound ID |
CP0846156
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| Compound Name |
(3-endo)-3-{2-Hydroxy-2,2-bis[2-(methyloxy)phenyl]ethyl}-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane Bromide
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| Formula |
C25H34BrNO3
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| Molecular Weight |
476.455
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| Canonical SMILES |
COc1ccccc1C(O)(C[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1OC.[Br-]
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| InChI |
InChI=1S/C25H34NO3.BrH/c1-26(2)19-13-14-20(26)16-18(15-19)17-25(27,21-9-5-7-11-23(21)28-3)22-10-6-8-12-24(22)29-4;/h5-12,18-20,27H,13-17H2,1-4H3;1H/q+1;/p-1/t18-,19+,20-;
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| InChIKey |
RKZSCLBPKOKXIU-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