General Information of the Compound
Compound ID |
CP0198049
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Compound Name |
4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one
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Structure |
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Formula |
C20H29NO2
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Molecular Weight |
315.457
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Canonical SMILES |
O=C1CCC(CC1)c1ccc(OCCCN2CCCCC2)cc1
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InChI |
InChI=1S/C20H29NO2/c22-19-9-5-17(6-10-19)18-7-11-20(12-8-18)23-16-4-15-21-13-2-1-3-14-21/h7-8,11-12,17H,1-6,9-10,13-16H2
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InChIKey |
PAWKQFHVEWLZGA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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