General Information of the Compound
| Compound ID |
CP0909066
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| Compound Name |
(3-endo)-3-[2-Hydroxy-2,2-bis(4-methyl-3-thienyl)ethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane Bromide
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| Formula |
C21H30BrNOS2
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| Molecular Weight |
456.515
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| Canonical SMILES |
Cc1cc(C(O)(C[C@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2csc(C)c2)cs1.[Br-]
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| InChI |
InChI=1S/C21H30NOS2.BrH/c1-14-7-17(12-24-14)21(23,18-8-15(2)25-13-18)11-16-9-19-5-6-20(10-16)22(19,3)4;/h7-8,12-13,16,19-20,23H,5-6,9-11H2,1-4H3;1H/q+1;/p-1/t16-,19+,20-;
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| InChIKey |
DCLXBTYBEJHUKR-LOLVFPEOSA-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