General Information of the Compound
| Compound ID |
CP0542774
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| Compound Name |
[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]boronic acid
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| Structure |
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| Formula |
C15H16BNO4
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| Molecular Weight |
285.108
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2cccc(c2)B(O)O)cc1
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| InChI |
InChI=1S/C15H16BNO4/c1-21-14-7-5-11(6-8-14)9-15(18)17-13-4-2-3-12(10-13)16(19)20/h2-8,10,19-20H,9H2,1H3,(H,17,18)
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| InChIKey |
MLFLVONTTDCYQV-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