General Information of the Compound
| Compound ID |
CP0524824
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| Compound Name |
(E)-1-[3-(3-fluorophenyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C22H17FO3
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| Molecular Weight |
348.373
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2cccc(c2)-c2cccc(F)c2)ccc1O
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| InChI |
InChI=1S/C22H17FO3/c1-26-22-12-15(9-11-21(22)25)8-10-20(24)18-6-2-4-16(13-18)17-5-3-7-19(23)14-17/h2-14,25H,1H3/b10-8+
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| InChIKey |
NPHUBJIPUKBQEX-CSKARUKUSA-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