General Information of the Compound
| Compound ID |
CP0526630
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| Compound Name |
[4-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoyl]amino]phenyl]boronic acid
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| Structure |
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| Formula |
C24H18BFN2O5S
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| Molecular Weight |
476.294
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| Canonical SMILES |
OB(O)c1ccc(NC(=O)c2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
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| InChI |
InChI=1S/C24H18BFN2O5S/c26-19-9-3-16(4-10-19)14-28-23(30)21(34-24(28)31)13-15-1-5-17(6-2-15)22(29)27-20-11-7-18(8-12-20)25(32)33/h1-13,32-33H,14H2,(H,27,29)/b21-13-
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| InChIKey |
XAMLTKWGOQOZOL-BKUYFWCQSA-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