General Information of the Compound
| Compound ID |
CP0491165
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| Compound Name |
2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C21H23NO2
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| Molecular Weight |
321.42
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| Canonical SMILES |
O=C1CC(Oc2ccccc12)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H23NO2/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
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| InChIKey |
JXWUBELNNSQYSV-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