General Information of the Compound
| Compound ID |
CP0484879
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| Compound Name |
4-hydroxybutyl 2-amino-2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate
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| Structure |
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| Formula |
C24H27FN2O5S
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| Molecular Weight |
474.554
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| Canonical SMILES |
Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCCO
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| InChI |
InChI=1S/C24H27FN2O5S/c1-16-21(23(26)24(29)32-14-4-3-13-28)15-22(27(16)19-9-7-18(25)8-10-19)17-5-11-20(12-6-17)33(2,30)31/h5-12,15,23,28H,3-4,13-14,26H2,1-2H3
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| InChIKey |
VCAAGMJSROJBON-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