General Information of the Compound
| Compound ID |
CP0894034
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| Compound Name |
(R)-1-(3-phenylpropyl)-3-((R)-2-(piperidin-1-yl)-2-(thiophen-2-yl)propanoyloxy)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C28H39N2O2S+
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| Molecular Weight |
467.699
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| Canonical SMILES |
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1cccs1)N1CCCCC1
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| InChI |
InChI=1S/C28H39N2O2S/c1-28(26-13-9-21-33-26,29-16-6-3-7-17-29)27(31)32-25-22-30(19-14-24(25)15-20-30)18-8-12-23-10-4-2-5-11-23/h2,4-5,9-11,13,21,24-25H,3,6-8,12,14-20,22H2,1H3/q+1/t24?,25-,28-,30?/m0/s1
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| InChIKey |
ZDMIIYGPOIOKNJ-NNRFIJQCSA-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