General Information of the Compound
| Compound ID |
CP0477207
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| Compound Name |
(3R)-1-[(Z)-4-(2,6-difluorophenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H23F2NO2
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| Molecular Weight |
371.427
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2c(F)cccc2F)C1
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| InChI |
InChI=1S/C22H23F2NO2/c23-19-11-4-12-20(24)21(19)18(16-7-2-1-3-8-16)10-6-14-25-13-5-9-17(15-25)22(26)27/h1-4,7-8,10-12,17H,5-6,9,13-15H2,(H,26,27)/b18-10-/t17-/m1/s1
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| InChIKey |
MFJQMFNNMPTZDO-RMFUMNGISA-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