General Information of the Compound
| Compound ID |
CP0427344
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| Compound Name |
3-hydroxypropyl 2-[2-methyl-1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate
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| Structure |
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| Formula |
C24H27NO5S2
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| Molecular Weight |
473.616
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| Canonical SMILES |
CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO)cc1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H27NO5S2/c1-17-19(16-24(27)30-14-4-13-26)15-23(18-5-11-22(12-6-18)32(3,28)29)25(17)20-7-9-21(31-2)10-8-20/h5-12,15,26H,4,13-14,16H2,1-3H3
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| InChIKey |
RZNAWVLVWJMDMP-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