General Information of the Compound
| Compound ID |
CP0516310
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| Compound Name |
3-(3-Benzo[b]thiophen-2-yl-propyl)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C18H23NS
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| Molecular Weight |
285.456
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| Canonical SMILES |
C(CC1CN2CCC1CC2)Cc1cc2ccccc2s1
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| InChI |
InChI=1S/C18H23NS/c1-2-7-18-15(4-1)12-17(20-18)6-3-5-16-13-19-10-8-14(16)9-11-19/h1-2,4,7,12,14,16H,3,5-6,8-11,13H2
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| InChIKey |
DLQOQDWFQJABBK-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