General Information of the Compound
| Compound ID |
CP0053588
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| Compound Name |
(R,E)-1-(4-(2-fluorophenyl)-4-o-tolylbut-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 |
Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
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| InChI |
InChI=1S/C23H26FNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12+/t18-/m1/s1
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| InChIKey |
XZCPNRFCLBNHOY-BAOGCXAUSA-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