General Information of the Compound
| Compound ID |
CP0428310
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| Compound Name |
[(3R)-1-(2-pyridin-4-yloxyethyl)-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 |
C28H38N3O3+
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| Molecular Weight |
464.63
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCOc3ccncc3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C28H38N3O3/c1-28(24-8-4-2-5-9-24,30-16-6-3-7-17-30)27(32)34-26-22-31(18-12-23(26)13-19-31)20-21-33-25-10-14-29-15-11-25/h2,4-5,8-11,14-15,23,26H,3,6-7,12-13,16-22H2,1H3/q+1/t23?,26-,28-,31?/m0/s1
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| InChIKey |
FJOACQNMBCLIDI-PCUONRJLSA-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