General Information of the Compound
| Compound ID |
CP0531064
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| Compound Name |
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C26H35FN2O2
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| Molecular Weight |
426.576
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| Canonical SMILES |
CCC(CC)(CNC(=O)C1CCN(Cc2cccc(OC)c2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H35FN2O2/c1-4-26(5-2,22-9-11-23(27)12-10-22)19-28-25(30)21-13-15-29(16-14-21)18-20-7-6-8-24(17-20)31-3/h6-12,17,21H,4-5,13-16,18-19H2,1-3H3,(H,28,30)
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| InChIKey |
AYJJTLXHTKWVGB-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