General Information of the Compound
| Compound ID |
CP0475874
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-[2-(methyl-phenyl-amino)-thiazol-4-yl]-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H27F2N5O2S
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| Molecular Weight |
559.642
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| Canonical SMILES |
CN(c1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O)c1ccccc1
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| InChI |
InChI=1S/C30H27F2N5O2S/c1-19-27(26-18-40-29(34-26)35(2)21-12-7-4-8-13-21)28(38)37(17-25(33)20-10-5-3-6-11-20)30(39)36(19)16-22-23(31)14-9-15-24(22)32/h3-15,18,25H,16-17,33H2,1-2H3/t25-/m0/s1
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| InChIKey |
MJRSTEUAPLZJTR-VWLOTQADSA-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