General Information of the Compound
| Compound ID |
CP0528544
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| Compound Name |
1-[7-(3-chlorophenoxy)heptyl]-4-methylpiperidine
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| Structure |
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| Formula |
C19H30ClNO
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| Molecular Weight |
323.908
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| Canonical SMILES |
CC1CCN(CCCCCCCOc2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C19H30ClNO/c1-17-10-13-21(14-11-17)12-5-3-2-4-6-15-22-19-9-7-8-18(20)16-19/h7-9,16-17H,2-6,10-15H2,1H3
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| InChIKey |
YSGPRIFLIJFIDY-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