General Information of the Compound
| Compound ID |
CP0458908
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| Compound Name |
[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-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 |
C28H35N4O3S+
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| Molecular Weight |
507.68
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(Cc3noc(n3)-c3ccccc3)CCC1CC2)c1cccs1
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| InChI |
InChI=1S/C28H35N4O3S/c1-28(24-11-8-18-36-24,31-14-6-3-7-15-31)27(33)34-23-19-32(16-12-21(23)13-17-32)20-25-29-26(35-30-25)22-9-4-2-5-10-22/h2,4-5,8-11,18,21,23H,3,6-7,12-17,19-20H2,1H3/q+1/t21?,23-,28-,32?/m0/s1
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| InChIKey |
NSUXHNATZRCPHE-VEERZVHFSA-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