General Information of the Compound
| Compound ID |
CP0513345
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| Compound Name |
[(3R)-1-[2-(1-benzofuran-2-yl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
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| Structure |
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| Formula |
C31H39N2O3+
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| Molecular Weight |
487.664
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCc3cc4ccccc4o3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C31H39N2O3/c1-31(26-11-4-2-5-12-26,32-17-8-3-9-18-32)30(34)36-29-23-33(19-14-24(29)15-20-33)21-16-27-22-25-10-6-7-13-28(25)35-27/h2,4-7,10-13,22,24,29H,3,8-9,14-21,23H2,1H3/q+1/t24?,29-,31-,33?/m0/s1
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| InChIKey |
IINAHPOQUFMJIU-PMTRCUQQSA-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