General Information of the Compound
| Compound ID |
CP0468397
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| Compound Name |
3-[2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethoxy]propan-1-ol
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| Structure |
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| Formula |
C23H26FNO4S
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| Molecular Weight |
431.529
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| Canonical SMILES |
Cc1c(CCOCCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
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| InChI |
InChI=1S/C23H26FNO4S/c1-17-19(11-14-29-13-4-12-26)15-23(25(17)21-6-3-5-20(24)16-21)18-7-9-22(10-8-18)30(2,27)28/h3,5-10,15-16,26H,4,11-14H2,1-2H3
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| InChIKey |
HUZGFAKPICJERB-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: PT01898, Prostaglandin G/H synthase 1
Protein ID: PT01062, Prostaglandin G/H synthase 2