General Information of the Compound
| Compound ID |
CP0374676
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| Compound Name |
3-(4-Hexylsulfanyl-[1,2,5]thiadiazol-3-yloxy)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C15H25N3OS2
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| Molecular Weight |
327.519
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| Canonical SMILES |
CCCCCCSc1nsnc1OC1CN2CCC1CC2
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| InChI |
InChI=1S/C15H25N3OS2/c1-2-3-4-5-10-20-15-14(16-21-17-15)19-13-11-18-8-6-12(13)7-9-18/h12-13H,2-11H2,1H3
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| InChIKey |
QFNZGJLFACGDSQ-UHFFFAOYSA-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