General Information of the Compound
| Compound ID |
CP0498710
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| Compound Name |
2-(4-tert-butylphenoxy)-N-(2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
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| Structure |
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| Formula |
C24H32BNO5
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| Molecular Weight |
425.334
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| Canonical SMILES |
CC(C)(C)c1ccc(OCC(=O)Nc2cc(ccc2O)B2OC(C)(C)C(C)(C)O2)cc1
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| InChI |
InChI=1S/C24H32BNO5/c1-22(2,3)16-8-11-18(12-9-16)29-15-21(28)26-19-14-17(10-13-20(19)27)25-30-23(4,5)24(6,7)31-25/h8-14,27H,15H2,1-7H3,(H,26,28)
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| InChIKey |
PWSOTBSOROOXRF-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