General Information of the Compound
| Compound ID |
CP0000787
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| Compound Name |
7-(5-phenylmethoxypyridin-3-yl)-3-azabicyclo[3.3.1]non-6-ene
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| Structure |
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| Formula |
C20H22N2O
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| Molecular Weight |
306.409
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| Canonical SMILES |
C(Oc1cncc(c1)C1=CC2CNCC(C2)C1)c1ccccc1
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| InChI |
InChI=1S/C20H22N2O/c1-2-4-15(5-3-1)14-23-20-9-19(12-22-13-20)18-7-16-6-17(8-18)11-21-10-16/h1-5,7,9,12-13,16-17,21H,6,8,10-11,14H2
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| InChIKey |
YCKUJRLTYLJWTR-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