General Information of the Compound
| Compound ID |
CP0480337
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-5-[2-(4-tert-butyl-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 |
C33H32F2N4O2S
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| Molecular Weight |
586.708
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| Canonical SMILES |
Cc1c(-c2csc(n2)-c2ccc(cc2)C(C)(C)C)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C33H32F2N4O2S/c1-20-29(28-19-42-30(37-28)22-13-15-23(16-14-22)33(2,3)4)31(40)39(18-27(36)21-9-6-5-7-10-21)32(41)38(20)17-24-25(34)11-8-12-26(24)35/h5-16,19,27H,17-18,36H2,1-4H3/t27-/m0/s1
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| InChIKey |
KBKLRZFKELJNLR-MHZLTWQESA-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