General Information of the Compound
| Compound ID |
CP0396702
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| Compound Name |
2-methyl-5-(4-methylsulfonylphenyl)-1-phenylpyrrole-3-carbonitrile
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| Structure |
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| Formula |
C19H16N2O2S
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| Molecular Weight |
336.416
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| Canonical SMILES |
Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1)C#N
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| InChI |
InChI=1S/C19H16N2O2S/c1-14-16(13-20)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)24(2,22)23/h3-12H,1-2H3
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| InChIKey |
SNUBEPJZUOUKOX-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