General Information of the Compound
| Compound ID |
CP0392186
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| Compound Name |
5-(4-hydroxy-2-methylsulfonylphenyl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C13H12N2O3S
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| Molecular Weight |
276.317
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| Canonical SMILES |
Cn1c(ccc1-c1ccc(O)cc1S(C)(=O)=O)C#N
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| InChI |
InChI=1S/C13H12N2O3S/c1-15-9(8-14)3-6-12(15)11-5-4-10(16)7-13(11)19(2,17)18/h3-7,16H,1-2H3
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| InChIKey |
OQJGGYXNMXINFM-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