General Information of the Compound
| Compound ID |
CP0508109
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-5-[2-(4-chloro-phenyl)-thiazol-4-yl]-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H23ClF2N4O2S
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| Molecular Weight |
565.045
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| Canonical SMILES |
Cc1c(-c2csc(n2)-c2ccc(Cl)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C29H23ClF2N4O2S/c1-17-26(25-16-39-27(34-25)19-10-12-20(30)13-11-19)28(37)36(15-24(33)18-6-3-2-4-7-18)29(38)35(17)14-21-22(31)8-5-9-23(21)32/h2-13,16,24H,14-15,33H2,1H3/t24-/m0/s1
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| InChIKey |
SEPWPJVHMOIGQX-DEOSSOPVSA-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