General Information of the Compound
| Compound ID |
CP0455353
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| Compound Name |
[4-[[4-[[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-thiazol-5-yl]methyl]phenoxy]methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C24H21BFNO4S
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| Molecular Weight |
449.312
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| Canonical SMILES |
OB(O)c1ccc(COc2ccc(Cc3cn(Cc4ccc(F)cc4)c(=O)s3)cc2)cc1
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| InChI |
InChI=1S/C24H21BFNO4S/c26-21-9-3-18(4-10-21)14-27-15-23(32-24(27)28)13-17-5-11-22(12-6-17)31-16-19-1-7-20(8-2-19)25(29)30/h1-12,15,29-30H,13-14,16H2
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| InChIKey |
SDADCKAQWPFYCP-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