General Information of the Compound
| Compound ID |
CP0494156
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| Compound Name |
1-[1-Heptyl-4-(3-hydroxy-phenyl)-piperidin-4-yl]-propan-1-one
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| Structure |
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| Formula |
C21H33NO2
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| Molecular Weight |
331.5
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| Canonical SMILES |
CCCCCCCN1CCC(CC1)(C(=O)CC)c1cccc(O)c1
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| InChI |
InChI=1S/C21H33NO2/c1-3-5-6-7-8-14-22-15-12-21(13-16-22,20(24)4-2)18-10-9-11-19(23)17-18/h9-11,17,23H,3-8,12-16H2,1-2H3
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| InChIKey |
QYYOWXGHJFPMIM-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