General Information of the Compound
Compound ID |
CP0343527
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Compound Name |
[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]urea
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Structure |
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Formula |
C16H14ClF3N2O4S
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Molecular Weight |
422.812
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Canonical SMILES |
CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(NC(N)=O)cc1Cl)C(F)(F)F
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InChI |
InChI=1S/C16H14ClF3N2O4S/c1-15(24,16(18,19)20)9-2-5-11(6-3-9)27(25,26)13-7-4-10(8-12(13)17)22-14(21)23/h2-8,24H,1H3,(H3,21,22,23)
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InChIKey |
JWLOBTLWJDYOEK-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