General Information of the Compound
| Compound ID |
CP0402874
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| Compound Name |
N-[[4-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]quinoline-7-carboxamide
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| Structure |
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| Formula |
C25H22N4O4S2
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| Molecular Weight |
506.609
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| Canonical SMILES |
OCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cccnc3c2)cc1
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| InChI |
InChI=1S/C25H22N4O4S2/c30-16-15-29(21-6-2-1-3-7-21)35(32,33)22-12-10-20(11-13-22)27-25(34)28-24(31)19-9-8-18-5-4-14-26-23(18)17-19/h1-14,17,30H,15-16H2,(H2,27,28,31,34)
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| InChIKey |
LBFSZNSJAYYBKZ-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