General Information of the Compound
Compound ID |
CP0509755
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Compound Name |
1-(3-chlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
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Structure |
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Formula |
C19H18ClN5O5S
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Molecular Weight |
463.903
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Canonical SMILES |
COc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(OC)n1
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InChI |
InChI=1S/C19H18ClN5O5S/c1-29-17-11-16(23-19(24-17)30-2)25-31(27,28)15-8-6-13(7-9-15)21-18(26)22-14-5-3-4-12(20)10-14/h3-11H,1-2H3,(H2,21,22,26)(H,23,24,25)
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InChIKey |
BKBZRXSPMLJDFI-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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