General Information of the Compound
| Compound ID |
CP0455354
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| Compound Name |
[4-[[4-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C24H20BFN2O5
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| Molecular Weight |
446.243
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| Canonical SMILES |
OB(O)c1ccc(COc2ccc(\C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
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| InChI |
InChI=1S/C24H20BFN2O5/c26-20-9-3-17(4-10-20)14-28-23(29)22(27-24(28)30)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(31)32/h1-13,31-32H,14-15H2,(H,27,30)/b22-13-
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| InChIKey |
RVLOYNBRZDWWRF-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