General Information of the Compound
Compound ID |
CP0879100
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Compound Name |
(E)-1-(5-(2'-fluorobiphenyl-2-yl)pent-4-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 |
O=C(O)C1CCCN(CCC/C=C/c2ccccc2-c2ccccc2F)C1
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InChI |
InChI=1S/C23H26FNO2/c24-22-14-6-5-13-21(22)20-12-4-3-10-18(20)9-2-1-7-15-25-16-8-11-19(17-25)23(26)27/h2-6,9-10,12-14,19H,1,7-8,11,15-17H2,(H,26,27)/b9-2+
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InChIKey |
YZSVWUOOVODXFM-XNWCZRBMSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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