General Information of the Compound
| Compound ID |
CP0474652
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| Compound Name |
3-(2-methoxyethyl)-2-methyl-5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole
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| Structure |
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| Formula |
C22H22F3NO3S
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| Molecular Weight |
437.483
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| Canonical SMILES |
COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3NO3S/c1-15-17(12-13-29-2)14-21(16-4-10-20(11-5-16)30(3,27)28)26(15)19-8-6-18(7-9-19)22(23,24)25/h4-11,14H,12-13H2,1-3H3
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| InChIKey |
UBIIPLVJLRUEQK-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