General Information of the Compound
| Compound ID |
CP0458622
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| Compound Name |
2-[3-phenyl-4-(4-sulfamoylanilino)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C19H15N5O4S2
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| Molecular Weight |
441.494
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Nc2cn(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C19H15N5O4S2/c20-30(27,28)14-8-6-13(7-9-14)21-15-10-24(19-22-16(11-29-19)18(25)26)23-17(15)12-4-2-1-3-5-12/h1-11,21H,(H,25,26)(H2,20,27,28)
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| InChIKey |
FNCXDCCNGFASCI-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