General Information of the Compound
| Compound ID |
CP0071320
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| Compound Name |
5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpentan-1-one
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| Structure |
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| Formula |
C17H23NO3
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| Molecular Weight |
289.375
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| Canonical SMILES |
O=C(CCCCc1ccc2OCOc2c1)N1CCCCC1
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| InChI |
InChI=1S/C17H23NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h8-9,12H,1-7,10-11,13H2
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| InChIKey |
APZYKUZPJCQGPP-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