General Information of the Compound
| Compound ID |
CP0476219
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| Compound Name |
ethyl 5-(4-bromophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
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| Structure |
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| Formula |
C20H19BrN2O4S
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| Molecular Weight |
463.353
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| Canonical SMILES |
CCOC(=O)c1cc(-c2ccc(Br)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C20H19BrN2O4S/c1-3-27-20(24)18-12-19(14-4-6-15(21)7-5-14)23(13(18)2)16-8-10-17(11-9-16)28(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26)
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| InChIKey |
DBVUOFUBNUOAKG-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