General Information of the Compound
| Compound ID |
CP0375273
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| Compound Name |
[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-piperidin-1-yl-2-thiophen-2-ylpropanoate
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| Structure |
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| Formula |
C28H39N2O3S+
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| Molecular Weight |
483.698
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1
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| InChI |
InChI=1S/C28H39N2O3S/c1-28(26-12-8-21-34-26,29-15-6-3-7-16-29)27(31)33-25-22-30(18-13-23(25)14-19-30)17-9-20-32-24-10-4-2-5-11-24/h2,4-5,8,10-12,21,23,25H,3,6-7,9,13-20,22H2,1H3/q+1/t23?,25-,28-,30?/m0/s1
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| InChIKey |
YHGPEGHFOGAKHM-JRZMRVHDSA-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