General Information of the Compound
| Compound ID |
CP0000952
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| Compound Name |
7-[5-(3-methoxyphenoxy)pyridin-3-yl]-3-azabicyclo[3.3.1]non-6-ene
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
COc1cccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)c1
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| InChI |
InChI=1S/C20H22N2O2/c1-23-18-3-2-4-19(9-18)24-20-8-17(12-22-13-20)16-6-14-5-15(7-16)11-21-10-14/h2-4,6,8-9,12-15,21H,5,7,10-11H2,1H3
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| InChIKey |
GIUMMCXYLUQIND-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