General Information of the Compound
| Compound ID |
CP0471644
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| Compound Name |
(3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H26FNO2
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| Molecular Weight |
367.464
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| Canonical SMILES |
Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C23H26FNO2/c1-17-15-20(24)11-12-21(17)22(18-7-3-2-4-8-18)10-6-14-25-13-5-9-19(16-25)23(26)27/h2-4,7-8,10-12,15,19H,5-6,9,13-14,16H2,1H3,(H,26,27)/b22-10-/t19-/m1/s1
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| InChIKey |
PAMGMRKRPQPAKS-RCECTWRXSA-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