General Information of the Compound
| Compound ID |
CP0098303
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| Compound Name |
2-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C20H16N4O4S2
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| Molecular Weight |
440.506
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2cn(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C20H16N4O4S2/c21-30(27,28)16-8-6-13(7-9-16)10-15-11-24(20-22-17(12-29-20)19(25)26)23-18(15)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H,25,26)(H2,21,27,28)
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| InChIKey |
AZYWTTVLMDDTLU-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