General Information of the Compound
| Compound ID |
CP0475083
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| Compound Name |
[(3R)-1-(3-pyridin-4-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-piperidin-1-yl-2-thiophen-2-ylpropanoate
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| Structure |
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| Formula |
C27H38N3O2S+
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| Molecular Weight |
468.687
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3ccncc3)CCC1CC2)c1cccs1
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| InChI |
InChI=1S/C27H38N3O2S/c1-27(25-8-6-20-33-25,29-15-3-2-4-16-29)26(31)32-24-21-30(18-11-23(24)12-19-30)17-5-7-22-9-13-28-14-10-22/h6,8-10,13-14,20,23-24H,2-5,7,11-12,15-19,21H2,1H3/q+1/t23?,24-,27-,30?/m0/s1
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| InChIKey |
LDMUCNIFYVJOTG-YPAULADPSA-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