General Information of the Compound
| Compound ID |
CP0548731
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| Compound Name |
3,5-dimethyl-N-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C21H19F3N2O3S
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| Molecular Weight |
436.455
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| Canonical SMILES |
Cc1[nH]c(C(=O)Nc2ccc(cc2)S(C)(=O)=O)c(C)c1-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C21H19F3N2O3S/c1-12-18(16-6-4-5-7-17(16)21(22,23)24)13(2)25-19(12)20(27)26-14-8-10-15(11-9-14)30(3,28)29/h4-11,25H,1-3H3,(H,26,27)
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| InChIKey |
OWWQOEFYVVXYAU-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