General Information of the Compound
| Compound ID |
CP0569558
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| Compound Name |
2-(3-(3-(pyridin-2- ylmethoxy)phenyl)-4- (4-sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid
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| Structure |
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| Formula |
C26H21N5O5S2
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| Molecular Weight |
547.618
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCc3cccnc3)c2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C26H21N5O5S2/c27-38(34,35)22-8-6-17(7-9-22)11-20-14-31(26-29-23(16-37-26)25(32)33)30-24(20)19-4-1-5-21(12-19)36-15-18-3-2-10-28-13-18/h1-10,12-14,16H,11,15H2,(H,32,33)(H2,27,34,35)
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| InChIKey |
KJJPRTJZDLYJSX-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