General Information of the Compound
| Compound ID |
CP0873354
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| Compound Name |
(R)-1-(3-fluorophenethyl)-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 |
C27H36FN2O2S+
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| Molecular Weight |
471.662
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| Canonical SMILES |
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccc(F)c3)CCC1CC2)(c1cccs1)N1CCCCC1
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| InChI |
InChI=1S/C27H36FN2O2S/c1-27(25-9-6-18-33-25,29-13-3-2-4-14-29)26(31)32-24-20-30(16-11-22(24)12-17-30)15-10-21-7-5-8-23(28)19-21/h5-9,18-19,22,24H,2-4,10-17,20H2,1H3/q+1/t22?,24-,27-,30?/m0/s1
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| InChIKey |
MZAVVLWULQNHMR-XRFQPOIASA-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