General Information of the Compound
| Compound ID |
CP0490673
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| Compound Name |
5-(2-Methoxy-phenyl)-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
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| Structure |
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| Formula |
C19H22N2O2S
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| Molecular Weight |
342.464
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| Canonical SMILES |
COc1ccccc1-c1ccc(s1)C(=O)NC1CN2CCC1CC2
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| InChI |
InChI=1S/C19H22N2O2S/c1-23-16-5-3-2-4-14(16)17-6-7-18(24-17)19(22)20-15-12-21-10-8-13(15)9-11-21/h2-7,13,15H,8-12H2,1H3,(H,20,22)
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| InChIKey |
RLVDAYZJKKWRFX-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