General Information of the Compound
| Compound ID |
CP0498397
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| Compound Name |
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C25H32F2N2O
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| Molecular Weight |
414.54
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| Canonical SMILES |
CCC(CC)(CNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H32F2N2O/c1-3-25(4-2,21-9-11-22(26)12-10-21)18-28-24(30)19-13-15-29(16-14-19)17-20-7-5-6-8-23(20)27/h5-12,19H,3-4,13-18H2,1-2H3,(H,28,30)
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| InChIKey |
PVAVYAGOWAZKCO-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