General Information of the Compound
| Compound ID |
CP0554717
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| Compound Name |
3-[2-amino-2-(2,4-dimethylphenyl)ethyl]-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 |
C29H28F3N3O3
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| Molecular Weight |
523.555
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)c2ccc(C)cc2C)c1=O
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| InChI |
InChI=1S/C29H28F3N3O3/c1-16-11-12-19(17(2)13-16)24(33)15-35-28(36)26(20-7-5-10-25(38-4)27(20)32)18(3)34(29(35)37)14-21-22(30)8-6-9-23(21)31/h5-13,24H,14-15,33H2,1-4H3
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| InChIKey |
MMFWXVIBOZWXAK-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