General Information of the Compound
| Compound ID |
CP0432496
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| Compound Name |
tert-butyl N-[1-(4-cyanophenyl)-3-methyl-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C17H22N2O3
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| Molecular Weight |
302.374
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| Canonical SMILES |
CC(C)C(NC(=O)OC(C)(C)C)C(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C17H22N2O3/c1-11(2)14(19-16(21)22-17(3,4)5)15(20)13-8-6-12(10-18)7-9-13/h6-9,11,14H,1-5H3,(H,19,21)
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| InChIKey |
LZAWPGLJCUXQOP-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