General Information of the Compound
| Compound ID |
CP0344193
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| Compound Name |
1-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
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| Structure |
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| Formula |
C21H19F3N4O3
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| Molecular Weight |
432.402
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| Canonical SMILES |
COc1ccc(Cn2c(Nc3cccc(c3)C(F)(F)F)nc(=O)n(CC=C)c2=O)cc1
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| InChI |
InChI=1S/C21H19F3N4O3/c1-3-11-27-19(29)26-18(25-16-6-4-5-15(12-16)21(22,23)24)28(20(27)30)13-14-7-9-17(31-2)10-8-14/h3-10,12H,1,11,13H2,2H3,(H,25,26,29)
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| InChIKey |
YLCXWPPDJFECQI-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