General Information of the Compound
| Compound ID |
CP0069649
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| Compound Name |
4,4,5,5-tetramethyl-2-(4-thiophen-2-ylphenyl)-1,3,2-dioxaborolane
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| Structure |
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| Formula |
C16H19BO2S
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| Molecular Weight |
286.205
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| Canonical SMILES |
CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)13-9-7-12(8-10-13)14-6-5-11-20-14/h5-11H,1-4H3
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| InChIKey |
NPXXIOJSOCXPHL-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