General Information of the Compound
| Compound ID |
CP0536359
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| Compound Name |
3-[2-amino-2-(5-fluoro-2-methoxyphenyl)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 |
C28H25F4N3O4
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| Molecular Weight |
543.517
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)c2cc(F)ccc2OC)c1=O
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| InChI |
InChI=1S/C28H25F4N3O4/c1-15-25(17-6-4-9-24(39-3)26(17)32)27(36)35(14-22(33)18-12-16(29)10-11-23(18)38-2)28(37)34(15)13-19-20(30)7-5-8-21(19)31/h4-12,22H,13-14,33H2,1-3H3
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| InChIKey |
SQPIFMGDUNFWEP-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