General Information of the Compound
| Compound ID |
CP0458682
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-3-[2-(methyl-pyridin-2-ylmethyl-amino)-ethyl]-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C28H28F2N4O3
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| Molecular Weight |
506.553
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)Cc2ccccn2)c1=O
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| InChI |
InChI=1S/C28H28F2N4O3/c1-19-26(20-8-6-10-22(16-20)37-3)27(35)33(15-14-32(2)17-21-9-4-5-13-31-21)28(36)34(19)18-23-24(29)11-7-12-25(23)30/h4-13,16H,14-15,17-18H2,1-3H3
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| InChIKey |
UFXOSDJXIGXBES-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