General Information of the Compound
| Compound ID |
CP0317457
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| Compound Name |
3-[4-fluoro-3-(trifluoromethyl)phenyl]-6,6-dimethyl-1,3-diazinane-2,4-dione
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| Formula |
C13H12F4N2O2
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| Molecular Weight |
304.243
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| Canonical SMILES |
CC1(C)CC(=O)N(C(=O)N1)c1ccc(F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C13H12F4N2O2/c1-12(2)6-10(20)19(11(21)18-12)7-3-4-9(14)8(5-7)13(15,16)17/h3-5H,6H2,1-2H3,(H,18,21)
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| InChIKey |
XDVKTKXGCMLHAW-UHFFFAOYSA-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