General Information of the Compound
| Compound ID |
CP0008063
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| Compound Name |
3-methyl-7-(5-phenylmethoxypyridin-3-yl)-3-azabicyclo[3.3.1]non-6-ene
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
CN1CC2CC(C1)C=C(C2)c1cncc(OCc2ccccc2)c1
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| InChI |
InChI=1S/C21H24N2O/c1-23-13-17-7-18(14-23)9-19(8-17)20-10-21(12-22-11-20)24-15-16-5-3-2-4-6-16/h2-6,8,10-12,17-18H,7,9,13-15H2,1H3
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| InChIKey |
JASZEBXICKBENQ-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