General Information of the Compound
| Compound ID |
CP0378225
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| Compound Name |
5-(2-Chloro-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 |
C18H19ClN2OS
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| Molecular Weight |
346.883
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| Canonical SMILES |
Clc1ccccc1-c1ccc(s1)C(=O)NC1CN2CCC1CC2
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| InChI |
InChI=1S/C18H19ClN2OS/c19-14-4-2-1-3-13(14)16-5-6-17(23-16)18(22)20-15-11-21-9-7-12(15)8-10-21/h1-6,12,15H,7-11H2,(H,20,22)
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| InChIKey |
DBQAISAIFZUCHJ-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