General Information of the Compound
| Compound ID |
CP0375269
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| Compound Name |
[(3R)-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]-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 |
C27H36N5O3+
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| Molecular Weight |
478.617
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3cnccn3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C27H35N5O3/c1-27(22-8-4-2-5-9-22,31-14-6-3-7-15-31)26(34)35-23-19-32(16-10-21(23)11-17-32)20-25(33)30-24-18-28-12-13-29-24/h2,4-5,8-9,12-13,18,21,23H,3,6-7,10-11,14-17,19-20H2,1H3/p+1/t21?,23-,27-,32?/m0/s1
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| InChIKey |
HBESSADZMVANJT-JDSZFFLXSA-O
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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