General Information of the Compound
| Compound ID |
CP0569954
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| Compound Name |
2-(3-(3-((3- methoxybenzyl)oxy)phenyl)- 4-(4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid; MS (ES) 576.9 (M + H)+
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| Structure |
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| Formula |
C28H24N4O6S2
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| Molecular Weight |
576.656
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| Canonical SMILES |
COc1cccc(COc2cccc(c2)-c2nn(cc2Cc2ccc(cc2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)c1
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| InChI |
InChI=1S/C28H24N4O6S2/c1-37-22-6-2-4-19(13-22)16-38-23-7-3-5-20(14-23)26-21(12-18-8-10-24(11-9-18)40(29,35)36)15-32(31-26)28-30-25(17-39-28)27(33)34/h2-11,13-15,17H,12,16H2,1H3,(H,33,34)(H2,29,35,36)
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| InChIKey |
XLKULYWBXICOOH-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