General Information of the Compound
| Compound ID |
CP0455352
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| Compound Name |
[4-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C24H23BFNO5S
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| Molecular Weight |
467.327
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| Canonical SMILES |
OB(O)c1ccc(COc2ccc(CC3SC(=O)N(Cc4ccc(F)cc4)C3O)cc2)cc1
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| InChI |
InChI=1S/C24H23BFNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-24(27)29)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)25(30)31/h1-12,22-23,28,30-31H,13-15H2
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| InChIKey |
MWFUPJUSLRPAFM-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