General Information of the Compound
| Compound ID |
CP0919884
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| Compound Name |
(3-endo)-3-{2-Hydroxy-2,2-bis[4-(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 |
COc1ccc(C(O)(C[C@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccc(OC)cc2)cc1.[Br-]
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| InChI |
InChI=1S/C25H34NO3.BrH/c1-26(2)21-9-10-22(26)16-18(15-21)17-25(27,19-5-11-23(28-3)12-6-19)20-7-13-24(29-4)14-8-20;/h5-8,11-14,18,21-22,27H,9-10,15-17H2,1-4H3;1H/q+1;/p-1/t18-,21+,22-;
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| InChIKey |
NHLDYZYLWRLASL-UXDPJVGCSA-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