General Information of the Compound
| Compound ID |
CP0428309
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| Compound Name |
[(3R)-1-[3-(4-fluorophenoxy)propyl]-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 |
C30H40FN2O3+
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| Molecular Weight |
495.659
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccc(F)cc3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C30H40FN2O3/c1-30(25-9-4-2-5-10-25,32-17-6-3-7-18-32)29(34)36-28-23-33(20-15-24(28)16-21-33)19-8-22-35-27-13-11-26(31)12-14-27/h2,4-5,9-14,24,28H,3,6-8,15-23H2,1H3/q+1/t24?,28-,30-,33?/m0/s1
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| InChIKey |
MOQMSSOYEONBHV-SXBWKGCASA-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