General Information of the Compound
| Compound ID |
CP0904587
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| Compound Name |
(R)-1-phenethyl-3-((S)-2-phenyl-2-(piperidin-1-yl)propanoyloxy)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C29H39N2O2+
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| Molecular Weight |
447.643
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| Canonical SMILES |
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1
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| InChI |
InChI=1S/C29H39N2O2/c1-29(26-13-7-3-8-14-26,30-18-9-4-10-19-30)28(32)33-27-23-31(21-16-25(27)17-22-31)20-15-24-11-5-2-6-12-24/h2-3,5-8,11-14,25,27H,4,9-10,15-23H2,1H3/q+1/t25?,27-,29-,31?/m0/s1
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| InChIKey |
DVEKJMIGSBNUCB-YXWZOGTMSA-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