General Information of the Compound
| Compound ID |
CP0192776
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| Compound Name |
(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyridin-3-yl]ethenyl]-4-hydroxyoxan-2-one
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| Structure |
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| Formula |
C20H20FNO3
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| Molecular Weight |
341.382
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| Canonical SMILES |
Cc1cc(-c2ccc(F)cc2)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1
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| InChI |
InChI=1S/C20H20FNO3/c1-12-9-19(14-3-5-15(21)6-4-14)18(13(2)22-12)8-7-17-10-16(23)11-20(24)25-17/h3-9,16-17,23H,10-11H2,1-2H3/b8-7+/t16-,17-/m1/s1
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| InChIKey |
ANOPSFFNQJWFSF-NXVGNOFTSA-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