General Information of the Compound
| Compound ID |
CP0488349
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| Compound Name |
[(3R)-1-(2-pyridin-3-ylethyl)-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 |
C28H38N3O2+
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| Molecular Weight |
448.631
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCc3cccnc3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C28H38N3O2/c1-28(25-10-4-2-5-11-25,30-16-6-3-7-17-30)27(32)33-26-22-31(19-13-24(26)14-20-31)18-12-23-9-8-15-29-21-23/h2,4-5,8-11,15,21,24,26H,3,6-7,12-14,16-20,22H2,1H3/q+1/t24?,26-,28-,31?/m0/s1
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| InChIKey |
ZZAVQSJREUCADH-XUGYUHTKSA-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