General Information of the Compound
| Compound ID |
CP0487867
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| Compound Name |
1-(3,4-difluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-(2-propoxyethyl)pyrrole
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| Structure |
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| Formula |
C23H25F2NO3S
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| Molecular Weight |
433.52
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| Canonical SMILES |
CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C23H25F2NO3S/c1-4-12-29-13-11-18-14-23(17-5-8-20(9-6-17)30(3,27)28)26(16(18)2)19-7-10-21(24)22(25)15-19/h5-10,14-15H,4,11-13H2,1-3H3
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| InChIKey |
HTARZKYTCQVFSW-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