General Information of the Compound
| Compound ID |
CP0458909
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| Compound Name |
[(3R)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-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 |
C29H36N3O3S+
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| Molecular Weight |
506.692
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(Cc3cc(no3)-c3ccccc3)CCC1CC2)c1cccs1
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| InChI |
InChI=1S/C29H36N3O3S/c1-29(27-11-8-18-36-27,31-14-6-3-7-15-31)28(33)34-26-21-32(16-12-23(26)13-17-32)20-24-19-25(30-35-24)22-9-4-2-5-10-22/h2,4-5,8-11,18-19,23,26H,3,6-7,12-17,20-21H2,1H3/q+1/t23?,26-,29-,32?/m0/s1
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| InChIKey |
FMOVWGDUYITLGZ-VWTNIKFJSA-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