General Information of the Compound
| Compound ID |
CP0550600
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| Compound Name |
[(1R)-3-methyl-1-[(2-phenylacetyl)amino]butyl]boronic acid
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| Structure |
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| Formula |
C13H20BNO3
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| Molecular Weight |
249.119
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cc1ccccc1)B(O)O
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| InChI |
InChI=1S/C13H20BNO3/c1-10(2)8-12(14(17)18)15-13(16)9-11-6-4-3-5-7-11/h3-7,10,12,17-18H,8-9H2,1-2H3,(H,15,16)/t12-/m0/s1
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| InChIKey |
AFAPDUQLUWIMPW-LBPRGKRZSA-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