General Information of the Compound
| Compound ID |
CP0548328
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| Compound Name |
3-(2-amino-3-thiophen-2-ylpropyl)-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 |
C26H24F3N3O3S
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| Molecular Weight |
515.557
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)Cc2cccs2)c1=O
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| InChI |
InChI=1S/C26H24F3N3O3S/c1-15-23(18-7-3-10-22(35-2)24(18)29)25(33)32(13-16(30)12-17-6-5-11-36-17)26(34)31(15)14-19-20(27)8-4-9-21(19)28/h3-11,16H,12-14,30H2,1-2H3
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| InChIKey |
JAPUTPGXRGZHTD-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