General Information of the Compound
| Compound ID |
CP0298058
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| Compound Name |
4,4,5,5-tetramethyl-2-(4-pentylphenyl)-1,3,2-dioxaborolane
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| Structure |
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| Formula |
C17H27BO2
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| Molecular Weight |
274.213
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| Canonical SMILES |
CCCCCc1ccc(cc1)B1OC(C)(C)C(C)(C)O1
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| InChI |
InChI=1S/C17H27BO2/c1-6-7-8-9-14-10-12-15(13-11-14)18-19-16(2,3)17(4,5)20-18/h10-13H,6-9H2,1-5H3
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| InChIKey |
YYAOSGNPSXDVEF-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