General Information of the Compound
| Compound ID |
CP0513347
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| Compound Name |
[(3R)-1-pentan-3-yl-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 |
C26H41N2O2+
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| Molecular Weight |
413.626
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| Canonical SMILES |
CCC(CC)[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](C)(N1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C26H41N2O2/c1-4-23(5-2)28-18-14-21(15-19-28)24(20-28)30-25(29)26(3,22-12-8-6-9-13-22)27-16-10-7-11-17-27/h6,8-9,12-13,21,23-24H,4-5,7,10-11,14-20H2,1-3H3/q+1/t21?,24-,26-,28?/m0/s1
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| InChIKey |
RHTDCYORTDFEFL-WILGIRNMSA-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