General Information of the Compound
| Compound ID |
CP0528908
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| Compound Name |
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C27H37FN2O
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| Molecular Weight |
424.604
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| Canonical SMILES |
CCC(CC)(CNC(=O)C1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H37FN2O/c1-3-27(4-2,24-12-14-25(28)15-13-24)21-29-26(31)23-16-19-30(20-17-23)18-8-11-22-9-6-5-7-10-22/h5-7,9-10,12-15,23H,3-4,8,11,16-21H2,1-2H3,(H,29,31)
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| InChIKey |
BHOCVYRYHHYQPF-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