General Information of the Compound
| Compound ID |
CP0567399
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| Compound Name |
(5E)-1-(1,3-benzodioxol-5-yl)-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
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| Structure |
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| Formula |
C25H17FN2O6
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| Molecular Weight |
460.417
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| Canonical SMILES |
OC1=NC(=O)N(C(=O)\C1=C\c1ccccc1OCc1ccccc1F)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H17FN2O6/c26-19-7-3-1-6-16(19)13-32-20-8-4-2-5-15(20)11-18-23(29)27-25(31)28(24(18)30)17-9-10-21-22(12-17)34-14-33-21/h1-12H,13-14H2,(H,27,29,31)/b18-11+
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| InChIKey |
LGBZKEHHLJVTBV-WOJGMQOQSA-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