General Information of the Compound
| Compound ID |
CP0509680
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| Compound Name |
(1-Aza-bicyclo[2.2.2]oct-3-yl)-benzo[b]thiophen-2-yl-methanone
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| Structure |
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| Formula |
C16H17NOS
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| Molecular Weight |
271.385
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| Canonical SMILES |
O=C(C1CN2CCC1CC2)c1cc2ccccc2s1
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| InChI |
InChI=1S/C16H17NOS/c18-16(13-10-17-7-5-11(13)6-8-17)15-9-12-3-1-2-4-14(12)19-15/h1-4,9,11,13H,5-8,10H2
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| InChIKey |
SHRLWGYNTYFYTI-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