General Information of the Compound
| Compound ID |
CP0522576
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| Compound Name |
3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C16H19NOS
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| Molecular Weight |
273.401
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| Canonical SMILES |
C(OC1CN2CCC1CC2)c1cc2ccccc2s1
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| InChI |
InChI=1S/C16H19NOS/c1-2-4-16-13(3-1)9-14(19-16)11-18-15-10-17-7-5-12(15)6-8-17/h1-4,9,12,15H,5-8,10-11H2
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| InChIKey |
GFYPTKLMKVKMDV-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