General Information of the Compound
| Compound ID |
CP0126569
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| Compound Name |
2-(4-heptylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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| Structure |
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| Formula |
C19H31BO2
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| Molecular Weight |
302.267
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| Canonical SMILES |
CCCCCCCc1ccc(cc1)B1OC(C)(C)C(C)(C)O1
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| InChI |
InChI=1S/C19H31BO2/c1-6-7-8-9-10-11-16-12-14-17(15-13-16)20-21-18(2,3)19(4,5)22-20/h12-15H,6-11H2,1-5H3
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| InChIKey |
UBPUCMMVBXVCCT-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