General Information of the Compound
| Compound ID |
CP0576101
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| Compound Name |
2-[2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenylpyrrol-3-yl]ethylsulfinyl]ethyl nitrate
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| Structure |
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| Formula |
C22H24N2O6S2
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| Molecular Weight |
476.576
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| Canonical SMILES |
Cc1c(CC[S+]([O-])CCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
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| InChI |
InChI=1S/C22H24N2O6S2/c1-17-19(12-14-31(27)15-13-30-24(25)26)16-22(23(17)20-6-4-3-5-7-20)18-8-10-21(11-9-18)32(2,28)29/h3-11,16H,12-15H2,1-2H3
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| InChIKey |
ISBMADSLCINRLW-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