General Information of the Compound
| Compound ID |
CP0498351
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| Compound Name |
[4-[(E)-2-[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]ethenyl]phenyl]boronic acid
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| Structure |
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| Formula |
C25H19BFNO4S
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| Molecular Weight |
459.307
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| Canonical SMILES |
OB(O)c1ccc(\C=C\c2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
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| InChI |
InChI=1S/C25H19BFNO4S/c27-22-13-9-20(10-14-22)16-28-24(29)23(33-25(28)30)15-19-5-3-17(4-6-19)1-2-18-7-11-21(12-8-18)26(31)32/h1-15,31-32H,16H2/b2-1+,23-15-
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| InChIKey |
VGCXUZCCIRRGSB-QUHUWWOHSA-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