General Information of the Compound
| Compound ID |
CP0578750
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| Compound Name |
[2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-6-yl]boronic acid
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| Structure |
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| Formula |
C28H26BF4NO4S
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| Molecular Weight |
559.39
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| Canonical SMILES |
CC(F)(F)c1cc(F)ccc1-c1sc2cc(ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1)B(O)O
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| InChI |
InChI=1S/C28H26BF4NO4S/c1-28(32,33)24-13-19(31)3-9-22(24)27-26(23-8-2-18(29(35)36)12-25(23)39-27)38-21-6-4-20(5-7-21)37-11-10-34-15-17(14-30)16-34/h2-9,12-13,17,35-36H,10-11,14-16H2,1H3
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| InChIKey |
QCAFGHDDJZAYBF-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