General Information of the Compound
| Compound ID |
CP0544743
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| Compound Name |
1-tert-butyl-3-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]urea
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| Structure |
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| Formula |
C16H23ClN2O2
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| Molecular Weight |
310.825
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| Canonical SMILES |
CC(C)C(NC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H23ClN2O2/c1-10(2)13(18-15(21)19-16(3,4)5)14(20)11-6-8-12(17)9-7-11/h6-10,13H,1-5H3,(H2,18,19,21)
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| InChIKey |
OPWGBOAEYGMIKX-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