General Information of the Compound
| Compound ID |
CP0514874
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| Compound Name |
(3R)-1-[(E)-4-(2-fluorophenyl)-4-(2-methoxyphenyl)but-3-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H26FNO3
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| Molecular Weight |
383.463
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| Canonical SMILES |
COc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
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| InChI |
InChI=1S/C23H26FNO3/c1-28-22-13-5-3-10-20(22)18(19-9-2-4-12-21(19)24)11-7-15-25-14-6-8-17(16-25)23(26)27/h2-5,9-13,17H,6-8,14-16H2,1H3,(H,26,27)/b18-11-/t17-/m1/s1
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| InChIKey |
CZSBRVBLBITUPK-LVSMMTLPSA-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