General Information of the Compound
| Compound ID |
CP0477651
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| Compound Name |
N-[2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
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| Structure |
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| Formula |
C21H26BNO5
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| Molecular Weight |
383.253
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| Canonical SMILES |
Cc1ccc(OCC(=O)Nc2cc(ccc2O)B2OC(C)(C)C(C)(C)O2)cc1
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| InChI |
InChI=1S/C21H26BNO5/c1-14-6-9-16(10-7-14)26-13-19(25)23-17-12-15(8-11-18(17)24)22-27-20(2,3)21(4,5)28-22/h6-12,24H,13H2,1-5H3,(H,23,25)
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| InChIKey |
LGCRRSOMHDQIOD-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