General Information of the Compound
| Compound ID |
CP0506645
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| Compound Name |
2-[3-(3-phenylphenyl)-4-(4-sulfamoylanilino)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C25H19N5O4S2
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| Molecular Weight |
517.592
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Nc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C25H19N5O4S2/c26-36(33,34)20-11-9-19(10-12-20)27-21-14-30(25-28-22(15-35-25)24(31)32)29-23(21)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-15,27H,(H,31,32)(H2,26,33,34)
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| InChIKey |
WDXUYQTYTRACEI-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