General Information of the Compound
| Compound ID |
CP0523994
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| Compound Name |
2-(4-ethylphenoxy)-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 |
C22H28BNO5
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| Molecular Weight |
397.28
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| Canonical SMILES |
CCc1ccc(OCC(=O)Nc2cc(ccc2O)B2OC(C)(C)C(C)(C)O2)cc1
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| InChI |
InChI=1S/C22H28BNO5/c1-6-15-7-10-17(11-8-15)27-14-20(26)24-18-13-16(9-12-19(18)25)23-28-21(2,3)22(4,5)29-23/h7-13,25H,6,14H2,1-5H3,(H,24,26)
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| InChIKey |
NZDHWXCIDIKWKY-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