General Information of the Compound
| Compound ID |
CP0498460
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(4-methoxy-phenylamino)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H27F2N5O3S
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| Molecular Weight |
575.641
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| Canonical SMILES |
COc1ccc(Nc2nc(cs2)-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cc1
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| InChI |
InChI=1S/C30H27F2N5O3S/c1-18-27(26-17-41-29(35-26)34-20-11-13-21(40-2)14-12-20)28(38)37(16-25(33)19-7-4-3-5-8-19)30(39)36(18)15-22-23(31)9-6-10-24(22)32/h3-14,17,25H,15-16,33H2,1-2H3,(H,34,35)/t25-/m0/s1
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| InChIKey |
PBOFLUMIUBFFIE-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