General Information of the Compound
| Compound ID |
CP0536667
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| Compound Name |
3-[4-[[3-(4-fluorophenyl)phenyl]methoxy]phenyl]prop-2-ynoic acid
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| Structure |
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| Formula |
C22H15FO3
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| Molecular Weight |
346.357
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| Canonical SMILES |
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C22H15FO3/c23-20-9-7-18(8-10-20)19-3-1-2-17(14-19)15-26-21-11-4-16(5-12-21)6-13-22(24)25/h1-5,7-12,14H,15H2,(H,24,25)
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| InChIKey |
HBPFZAUESZSEJC-UHFFFAOYSA-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