General Information of the Compound
| Compound ID |
CP0425276
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| Compound Name |
1-[(E)-2-(3-fluorophenyl)ethenyl]-2,3-dimethoxybenzene
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| Structure |
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| Formula |
C16H15FO2
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| Molecular Weight |
258.292
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| Canonical SMILES |
COc1cccc(\C=C\c2cccc(F)c2)c1OC
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| InChI |
InChI=1S/C16H15FO2/c1-18-15-8-4-6-13(16(15)19-2)10-9-12-5-3-7-14(17)11-12/h3-11H,1-2H3/b10-9+
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| InChIKey |
QRFFQWYANIUYII-MDZDMXLPSA-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