General Information of the Compound
| Compound ID |
CP0374698
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| Compound Name |
2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-bicyclo[2.2.1]hept-2-ene
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| Structure |
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| Formula |
C20H19FO2S
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| Molecular Weight |
342.435
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=C(C2CCC1C2)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H19FO2S/c1-24(22,23)18-10-6-14(7-11-18)20-16-3-2-15(12-16)19(20)13-4-8-17(21)9-5-13/h4-11,15-16H,2-3,12H2,1H3
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| InChIKey |
LGVZBTDYYYXPGR-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
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2