General Information of the Compound
| Compound ID |
CP0498711
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| Compound Name |
3-(2-(4-tert-butylphenoxy)acetamido)-4-hydroxyphenylboronic acid
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| Structure |
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| Formula |
C18H22BNO5
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| Molecular Weight |
343.188
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| Canonical SMILES |
CC(C)(C)c1ccc(OCC(=O)Nc2cc(ccc2O)B(O)O)cc1
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| InChI |
InChI=1S/C18H22BNO5/c1-18(2,3)12-4-7-14(8-5-12)25-11-17(22)20-15-10-13(19(23)24)6-9-16(15)21/h4-10,21,23-24H,11H2,1-3H3,(H,20,22)
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| InChIKey |
KBHLRVXJKQXSEP-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