General Information of the Compound
| Compound ID |
CP0000941
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| Compound Name |
7-(5-phenylpyridin-3-yl)-3-azabicyclo[3.3.1]non-6-ene
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| Structure |
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| Formula |
C19H20N2
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| Molecular Weight |
276.383
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| Canonical SMILES |
C1NCC2CC1CC(=C2)c1cncc(c1)-c1ccccc1
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| InChI |
InChI=1S/C19H20N2/c1-2-4-16(5-3-1)18-9-19(13-21-12-18)17-7-14-6-15(8-17)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2
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| InChIKey |
KEJDQVGYGBHLMC-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