General Information of the Compound
| Compound ID |
CP0458471
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| Compound Name |
3-[4-[(4-bromoanilino)sulfamoyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C15H15BrN2O4S
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| Molecular Weight |
399.266
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
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| InChI |
InChI=1S/C15H15BrN2O4S/c16-12-4-6-13(7-5-12)17-18-23(21,22)14-8-1-11(2-9-14)3-10-15(19)20/h1-2,4-9,17-18H,3,10H2,(H,19,20)
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| InChIKey |
QPEULQGQPJSUHK-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