General Information of the Compound
| Compound ID |
CP0458913
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| Compound Name |
[(3R)-1-(4-methylpent-3-enyl)-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 |
C27H41N2O2+
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| Molecular Weight |
425.637
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| Canonical SMILES |
CC(C)=CCC[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](C)(N1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C27H41N2O2/c1-22(2)11-10-18-29-19-14-23(15-20-29)25(21-29)31-26(30)27(3,24-12-6-4-7-13-24)28-16-8-5-9-17-28/h4,6-7,11-13,23,25H,5,8-10,14-21H2,1-3H3/q+1/t23?,25-,27-,29?/m0/s1
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| InChIKey |
UZEVBPRKTBGQEP-RJYCBYKVSA-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