General Information of the Compound
| Compound ID |
CP0015977
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| Compound Name |
5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
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| Structure |
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| Formula |
C17H19N3OS
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| Molecular Weight |
313.426
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| Canonical SMILES |
O=C(NC1CN2CCC1CC2)c1ccc(s1)-c1ccccn1
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| InChI |
InChI=1S/C17H19N3OS/c21-17(19-14-11-20-9-6-12(14)7-10-20)16-5-4-15(22-16)13-3-1-2-8-18-13/h1-5,8,12,14H,6-7,9-11H2,(H,19,21)
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| InChIKey |
UUSSDOJBSVGPEU-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