General Information of the Compound
| Compound ID |
CP0377083
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| Compound Name |
2-hydroxyethyl 2-[2-methyl-1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate
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| Structure |
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| Formula |
C23H25NO5S2
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| Molecular Weight |
459.589
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| Canonical SMILES |
CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCO)cc1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H25NO5S2/c1-16-18(15-23(26)29-13-12-25)14-22(17-4-10-21(11-5-17)31(3,27)28)24(16)19-6-8-20(30-2)9-7-19/h4-11,14,25H,12-13,15H2,1-3H3
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| InChIKey |
XKGIWYZCTPXUJG-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