General Information of the Compound
| Compound ID |
CP0513344
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| Compound Name |
[(3R)-1-[2-(3-methylphenoxy)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 |
C30H41N2O3+
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| Molecular Weight |
477.669
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| Canonical SMILES |
Cc1cccc(OCC[N+]23CCC(CC2)[C@H](C3)OC(=O)[C@@](C)(N2CCCCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C30H41N2O3/c1-24-10-9-13-27(22-24)34-21-20-32-18-14-25(15-19-32)28(23-32)35-29(33)30(2,26-11-5-3-6-12-26)31-16-7-4-8-17-31/h3,5-6,9-13,22,25,28H,4,7-8,14-21,23H2,1-2H3/q+1/t25?,28-,30-,32?/m0/s1
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| InChIKey |
QHUHABYGKGPQMQ-SHZVQYQYSA-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