General Information of the Compound
Compound ID |
CP0561790
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Compound Name |
3-[2-amino-3-(3,5-difluorophenyl)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 |
C28H24F5N3O3
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Molecular Weight |
545.508
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Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)Cc2cc(F)cc(F)c2)c1=O
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InChI |
InChI=1S/C28H24F5N3O3/c1-15-25(20-5-3-8-24(39-2)26(20)33)27(37)36(13-19(34)11-16-9-17(29)12-18(30)10-16)28(38)35(15)14-21-22(31)6-4-7-23(21)32/h3-10,12,19H,11,13-14,34H2,1-2H3
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InChIKey |
UEUHNDZQOMYTOW-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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