General Information of the Compound
| Compound ID |
CP0863041
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| Compound Name |
2-[(E)-2-(4-Fluoro-phenyl)-vinyl]-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
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| Structure |
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| Formula |
C20H17FO3S
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| Molecular Weight |
356.418
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| Canonical SMILES |
CS(=O)(=O)c1ccc(C2=C(/C=C/c3ccc(F)cc3)C(=O)CC2)cc1
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| InChI |
InChI=1S/C20H17FO3S/c1-25(23,24)17-9-5-15(6-10-17)18-12-13-20(22)19(18)11-4-14-2-7-16(21)8-3-14/h2-11H,12-13H2,1H3/b11-4+
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| InChIKey |
WLPAWGDABFYIPX-NYYWCZLTSA-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