General Information of the Compound
| Compound ID |
CP0396543
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| Compound Name |
N-[[4-[[5-(hydroxymethyl)furan-2-yl]methyl-phenylsulfamoyl]phenyl]carbamothioyl]quinoline-7-carboxamide
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| Structure |
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| Formula |
C29H24N4O5S2
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| Molecular Weight |
572.668
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| Canonical SMILES |
OCc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc4cccnc4c3)cc2)o1
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| InChI |
InChI=1S/C29H24N4O5S2/c34-19-25-13-12-24(38-25)18-33(23-6-2-1-3-7-23)40(36,37)26-14-10-22(11-15-26)31-29(39)32-28(35)21-9-8-20-5-4-16-30-27(20)17-21/h1-17,34H,18-19H2,(H2,31,32,35,39)
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| InChIKey |
CBOYMEBRIQXMTH-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