General Information of the Compound
| Compound ID |
CP0447661
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| Compound Name |
N-[(3-bromophenyl)methyl]-2,2-dimethylbutanamide
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| Structure |
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| Formula |
C13H18BrNO
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| Molecular Weight |
284.197
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| Canonical SMILES |
CCC(C)(C)C(=O)NCc1cccc(Br)c1
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| InChI |
InChI=1S/C13H18BrNO/c1-4-13(2,3)12(16)15-9-10-6-5-7-11(14)8-10/h5-8H,4,9H2,1-3H3,(H,15,16)
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| InChIKey |
QLZJENVLAFFDRI-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