General Information of the Compound
| Compound ID |
CP0574404
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| Compound Name |
1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea
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| Structure |
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| Formula |
C16H17ClN2O3S
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| Molecular Weight |
352.843
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| Canonical SMILES |
CS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C16H17ClN2O3S/c1-23(21,22)15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)
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| InChIKey |
DGPABBYSKVAZMB-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