General Information of the Compound
| Compound ID |
CP0385985
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| Compound Name |
[4-[(3-phenylpropanoylamino)methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C16H18BNO3
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| Molecular Weight |
283.136
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| Canonical SMILES |
OB(O)c1ccc(CNC(=O)CCc2ccccc2)cc1
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| InChI |
InChI=1S/C16H18BNO3/c19-16(11-8-13-4-2-1-3-5-13)18-12-14-6-9-15(10-7-14)17(20)21/h1-7,9-10,20-21H,8,11-12H2,(H,18,19)
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| InChIKey |
LVSJXDDNLYQQNM-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