General Information of the Compound
| Compound ID |
CP0566581
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| Compound Name |
2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-triazinane-3,5,6-trione
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| Structure |
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| Formula |
C12H10F3N3O3
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| Molecular Weight |
301.224
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| Canonical SMILES |
Oc1nn(CCc2cccc(c2)C(F)(F)F)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C12H10F3N3O3/c13-12(14,15)8-3-1-2-7(6-8)4-5-18-11(21)16-9(19)10(20)17-18/h1-3,6H,4-5H2,(H,17,20)(H,16,19,21)
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| InChIKey |
QIRLDCUTLAYUPK-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