General Information of the Compound
| Compound ID |
CP0000942
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| Compound Name |
7-(5-phenoxypyridin-3-yl)-3-azabicyclo[3.3.1]non-6-ene
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| Structure |
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| Formula |
C19H20N2O
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| Molecular Weight |
292.382
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| Canonical SMILES |
C1NCC2CC1CC(=C2)c1cncc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C19H20N2O/c1-2-4-18(5-3-1)22-19-9-17(12-21-13-19)16-7-14-6-15(8-16)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2
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| InChIKey |
GTVWKLSULFFQST-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