General Information of the Compound
| Compound ID |
CP0504867
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| Compound Name |
[4-[[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoyl]amino]methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C25H20BFN2O5S
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| Molecular Weight |
490.321
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| Canonical SMILES |
OB(O)c1ccc(CNC(=O)c2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
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| InChI |
InChI=1S/C25H20BFN2O5S/c27-21-11-5-18(6-12-21)15-29-24(31)22(35-25(29)32)13-16-1-7-19(8-2-16)23(30)28-14-17-3-9-20(10-4-17)26(33)34/h1-13,33-34H,14-15H2,(H,28,30)/b22-13-
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| InChIKey |
JXQNZRGLKNWQQB-XKZIYDEJSA-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