General Information of the Compound
| Compound ID |
CP0528909
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| Compound Name |
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(4-phenylbutyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C28H39FN2O
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| Molecular Weight |
438.631
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| Canonical SMILES |
CCC(CC)(CNC(=O)C1CCN(CCCCc2ccccc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H39FN2O/c1-3-28(4-2,25-13-15-26(29)16-14-25)22-30-27(32)24-17-20-31(21-18-24)19-9-8-12-23-10-6-5-7-11-23/h5-7,10-11,13-16,24H,3-4,8-9,12,17-22H2,1-2H3,(H,30,32)
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| InChIKey |
TVNANJBAMLPVSN-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