General Information of the Compound
| Compound ID |
CP0459035
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| Compound Name |
4-hydroxy-3-(2-(p-tolyloxy)acetamido)phenylboronic acid
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| Structure |
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| Formula |
C15H16BNO5
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| Molecular Weight |
301.107
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| Canonical SMILES |
Cc1ccc(OCC(=O)Nc2cc(ccc2O)B(O)O)cc1
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| InChI |
InChI=1S/C15H16BNO5/c1-10-2-5-12(6-3-10)22-9-15(19)17-13-8-11(16(20)21)4-7-14(13)18/h2-8,18,20-21H,9H2,1H3,(H,17,19)
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| InChIKey |
YDFSHLBEHJOQOZ-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