General Information of the Compound
| Compound ID |
CP0375272
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| Compound Name |
[(3R)-1-(2-amino-2-oxoethyl)-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 |
C21H32N3O3S+
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| Molecular Weight |
406.572
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(N)=O)CCC1CC2)c1cccs1
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| InChI |
InChI=1S/C21H31N3O3S/c1-21(18-6-5-13-28-18,23-9-3-2-4-10-23)20(26)27-17-14-24(15-19(22)25)11-7-16(17)8-12-24/h5-6,13,16-17H,2-4,7-12,14-15H2,1H3,(H-,22,25)/p+1/t16?,17-,21-,24?/m0/s1
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| InChIKey |
WKMMKXONQAAZDT-JZXTWQBISA-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