General Information of the Compound
| Compound ID |
CP0443985
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| Compound Name |
(3R,4S)-4-[(E)-4-(2-phenylphenyl)but-3-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H25NO2
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| Molecular Weight |
335.447
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| Canonical SMILES |
OC(=O)[C@H]1CNCC[C@@H]1CC\C=C\c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C22H25NO2/c24-22(25)21-16-23-15-14-19(21)12-5-4-10-18-11-6-7-13-20(18)17-8-2-1-3-9-17/h1-4,6-11,13,19,21,23H,5,12,14-16H2,(H,24,25)/b10-4+/t19-,21-/m0/s1
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| InChIKey |
BIHFSXOKUKWWGY-BWMYXLSUSA-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