General Information of the Compound
| Compound ID |
CP0548787
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| Compound Name |
3-[(2R)-2-amino-2-(oxolan-3-yl)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 |
C25H26F3N3O4
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| Molecular Weight |
489.494
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C2CCOC2)c1=O
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| InChI |
InChI=1S/C25H26F3N3O4/c1-14-22(16-5-3-8-21(34-2)23(16)28)24(32)31(12-20(29)15-9-10-35-13-15)25(33)30(14)11-17-18(26)6-4-7-19(17)27/h3-8,15,20H,9-13,29H2,1-2H3/t15?,20-/m0/s1
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| InChIKey |
AKJRAWSLZWXWHZ-MBABXSBOSA-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