General Information of the Compound
| Compound ID |
CP0458914
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| Compound Name |
[(3R)-1-butyl-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 |
C25H39N2O2+
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| Molecular Weight |
399.599
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| Canonical SMILES |
CCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](C)(N1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C25H39N2O2/c1-3-4-17-27-18-13-21(14-19-27)23(20-27)29-24(28)25(2,22-11-7-5-8-12-22)26-15-9-6-10-16-26/h5,7-8,11-12,21,23H,3-4,6,9-10,13-20H2,1-2H3/q+1/t21?,23-,25-,27?/m0/s1
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| InChIKey |
LWLXUWUHMUVTCQ-UCWJKEELSA-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