General Information of the Compound
| Compound ID |
CP0558023
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| Compound Name |
2-(3-(3- phenoxyphenyl)-4-(4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid; MS (ES) 532.9(M + H)+
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| Structure |
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| Formula |
C26H20N4O5S2
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| Molecular Weight |
532.603
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(Oc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C26H20N4O5S2/c27-37(33,34)22-11-9-17(10-12-22)13-19-15-30(26-28-23(16-36-26)25(31)32)29-24(19)18-5-4-8-21(14-18)35-20-6-2-1-3-7-20/h1-12,14-16H,13H2,(H,31,32)(H2,27,33,34)
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| InChIKey |
NHTYHPQFCZOQIM-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