General Information of the Compound
| Compound ID |
CP0383942
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| Compound Name |
3-(1-Aza-bicyclo[2.2.2]oct-3-yl)-1-benzo[b]thiophen-2-yl-propan-1-one
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| Structure |
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| Formula |
C18H21NOS
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| Molecular Weight |
299.439
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| Canonical SMILES |
O=C(CCC1CN2CCC1CC2)c1cc2ccccc2s1
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| InChI |
InChI=1S/C18H21NOS/c20-16(18-11-14-3-1-2-4-17(14)21-18)6-5-15-12-19-9-7-13(15)8-10-19/h1-4,11,13,15H,5-10,12H2
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| InChIKey |
CDAVRNSZZUNKKJ-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