General Information of the Compound
| Compound ID |
CP0525092
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| Compound Name |
[(3R)-1-(2-naphthalen-2-ylethyl)-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 |
C33H41N2O2+
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| Molecular Weight |
497.703
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCc3ccc4ccccc4c3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C33H41N2O2/c1-33(30-12-4-2-5-13-30,34-19-8-3-9-20-34)32(36)37-31-25-35(22-17-28(31)18-23-35)21-16-26-14-15-27-10-6-7-11-29(27)24-26/h2,4-7,10-15,24,28,31H,3,8-9,16-23,25H2,1H3/q+1/t28?,31-,33-,35?/m0/s1
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| InChIKey |
VLWKCPPUBKYCEF-BQTUONFDSA-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