General Information of the Compound
| Compound ID |
CP0502936
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| Compound Name |
tert-butyl N-[1-(4-cyano-3-fluorophenyl)-3-methyl-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C17H21FN2O3
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| Molecular Weight |
320.364
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| Canonical SMILES |
CC(C)C(NC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)c(F)c1
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| InChI |
InChI=1S/C17H21FN2O3/c1-10(2)14(20-16(22)23-17(3,4)5)15(21)11-6-7-12(9-19)13(18)8-11/h6-8,10,14H,1-5H3,(H,20,22)
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| InChIKey |
XOFOPCOUHWLPJL-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