General Information of the Compound
| Compound ID |
CP0436567
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| Compound Name |
[4-[[4-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-ylidene]methyl]phenoxy]methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C25H21BFNO5
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| Molecular Weight |
445.255
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| Canonical SMILES |
OB(O)c1ccc(COc2ccc(\C=C3/CC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
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| InChI |
InChI=1S/C25H21BFNO5/c27-22-9-3-18(4-10-22)15-28-24(29)14-20(25(28)30)13-17-5-11-23(12-6-17)33-16-19-1-7-21(8-2-19)26(31)32/h1-13,31-32H,14-16H2/b20-13+
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| InChIKey |
GXUCEGPEJNEJPP-DEDYPNTBSA-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