General Information of the Compound
| Compound ID |
CP0924172
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| Compound Name |
(R)-3-((S)-2-phenyl-2-(piperidin-1-yl)propanoyloxy)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C30H41N2O2+
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| Molecular Weight |
461.67
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| Canonical SMILES |
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1
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| InChI |
InChI=1S/C30H41N2O2/c1-30(27-15-7-3-8-16-27,31-19-9-4-10-20-31)29(33)34-28-24-32(22-17-26(28)18-23-32)21-11-14-25-12-5-2-6-13-25/h2-3,5-8,12-13,15-16,26,28H,4,9-11,14,17-24H2,1H3/q+1/t26?,28-,30-,32?/m0/s1
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| InChIKey |
OZXJKDPJLLASGG-GFDKVKMOSA-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