General Information of the Compound
| Compound ID |
CP0389694
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| Compound Name |
(6-(2-phenylethynyl)pyridin-3-yl)(piperidin-1-yl)methanone
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| Structure |
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| Formula |
C19H18N2O
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| Molecular Weight |
290.366
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| Canonical SMILES |
O=C(N1CCCCC1)c1ccc(nc1)C#Cc1ccccc1
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| InChI |
InChI=1S/C19H18N2O/c22-19(21-13-5-2-6-14-21)17-10-12-18(20-15-17)11-9-16-7-3-1-4-8-16/h1,3-4,7-8,10,12,15H,2,5-6,13-14H2
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| InChIKey |
LFGXHTODSVXJEF-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