General Information of the Compound
| Compound ID |
CP0559582
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| Compound Name |
2-[3-(3-methoxyphenyl)-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C21H18N4O5S2
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| Molecular Weight |
470.532
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| Canonical SMILES |
COc1cccc(c1)-c1nn(cc1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C21H18N4O5S2/c1-30-16-4-2-3-14(10-16)19-15(9-13-5-7-17(8-6-13)32(22,28)29)11-25(24-19)21-23-18(12-31-21)20(26)27/h2-8,10-12H,9H2,1H3,(H,26,27)(H2,22,28,29)
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| InChIKey |
OACWOGIHPHGQQB-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