General Information of the Compound
| Compound ID |
CP0859113
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| Compound Name |
(R)-1-phenethyl-3-((R)-2-(piperidin-1-yl)-2-(thiophen-2-yl)propanoyloxy)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C27H37N2O2S+
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| Molecular Weight |
453.672
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| Canonical SMILES |
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)N1CCCCC1
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| InChI |
InChI=1S/C27H37N2O2S/c1-27(25-11-8-20-32-25,28-15-6-3-7-16-28)26(30)31-24-21-29(18-13-23(24)14-19-29)17-12-22-9-4-2-5-10-22/h2,4-5,8-11,20,23-24H,3,6-7,12-19,21H2,1H3/q+1/t23?,24-,27-,29?/m0/s1
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| InChIKey |
BBIBFZJMAOWDKQ-FXIXRJGSSA-N
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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