General Information of the Compound
| Compound ID |
CP0484742
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| Compound Name |
[(3R)-1-(2-amino-2-oxoethyl)-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 |
C23H34N3O3+
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| Molecular Weight |
400.543
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(N)=O)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C23H33N3O3/c1-23(19-8-4-2-5-9-19,25-12-6-3-7-13-25)22(28)29-20-16-26(17-21(24)27)14-10-18(20)11-15-26/h2,4-5,8-9,18,20H,3,6-7,10-17H2,1H3,(H-,24,27)/p+1/t18?,20-,23-,26?/m0/s1
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| InChIKey |
DYNQEVUMIFLEOX-WFMIRFNLSA-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