General Information of the Compound
| Compound ID |
CP0573996
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| Compound Name |
3-[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H24F7N3O3
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| Molecular Weight |
595.515
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)Cc2ccc(cc2F)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C29H24F7N3O3/c1-15-25(19-5-3-8-24(42-2)26(19)33)27(40)39(28(41)38(15)14-20-21(30)6-4-7-22(20)31)13-18(37)11-16-9-10-17(12-23(16)32)29(34,35)36/h3-10,12,18H,11,13-14,37H2,1-2H3
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| InChIKey |
SURILPXJVDQVRP-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