General Information of the Compound
| Compound ID |
CP0549791
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| Compound Name |
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(4-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C16H16BNO4
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| Molecular Weight |
297.119
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2ccc3COB(O)c3c2)cc1
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| InChI |
InChI=1S/C16H16BNO4/c1-21-14-6-2-11(3-7-14)8-16(19)18-13-5-4-12-10-22-17(20)15(12)9-13/h2-7,9,20H,8,10H2,1H3,(H,18,19)
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| InChIKey |
SBRSLGJXCCTXLV-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