General Information of the Compound
| Compound ID |
CP0456220
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| Compound Name |
[(3R)-1-[3-(2,6-dimethylpyridin-4-yl)propyl]-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 |
C31H44N3O2+
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| Molecular Weight |
490.712
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| Canonical SMILES |
Cc1cc(CCC[N+]23CCC(CC2)[C@H](C3)OC(=O)[C@@](C)(N2CCCCC2)c2ccccc2)cc(C)n1
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| InChI |
InChI=1S/C31H44N3O2/c1-24-21-26(22-25(2)32-24)11-10-18-34-19-14-27(15-20-34)29(23-34)36-30(35)31(3,28-12-6-4-7-13-28)33-16-8-5-9-17-33/h4,6-7,12-13,21-22,27,29H,5,8-11,14-20,23H2,1-3H3/q+1/t27?,29-,31-,34?/m0/s1
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| InChIKey |
OSCMWRVJRBRUDD-ZMJBPPSBSA-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