General Information of the Compound
| Compound ID |
CP0500750
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| Compound Name |
(+/-)-Ethyl-[2-ethoxy-2-[1-(3-fluoro)phenyl-2-methyl-5-(4-methylsulfonyl)phenyl-1H-pyrrol-3-yl]]acetate
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| Structure |
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| Formula |
C24H26FNO5S
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| Molecular Weight |
459.539
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| Canonical SMILES |
CCOC(C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
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| InChI |
InChI=1S/C24H26FNO5S/c1-5-30-23(24(27)31-6-2)21-15-22(17-10-12-20(13-11-17)32(4,28)29)26(16(21)3)19-9-7-8-18(25)14-19/h7-15,23H,5-6H2,1-4H3
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| InChIKey |
ASPRDSYVTZWITC-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