General Information of the Compound
| Compound ID |
CP0455686
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| Compound Name |
2-[3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-thiophen-2-yl]-propan-2-ol
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| Structure |
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| Formula |
C20H19FO3S2
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| Molecular Weight |
390.501
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| Canonical SMILES |
CC(C)(O)c1scc(c1-c1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H19FO3S2/c1-20(2,22)19-18(14-4-8-15(21)9-5-14)17(12-25-19)13-6-10-16(11-7-13)26(3,23)24/h4-12,22H,1-3H3
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| InChIKey |
CFXPKVMPMGGWHX-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