General Information of the Compound
| Compound ID |
CP0547179
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-(2-morpholin-4-yl-thiazol-4-yl)-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H27F2N5O3S
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| Molecular Weight |
539.608
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| Canonical SMILES |
Cc1c(-c2csc(n2)N2CCOCC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C27H27F2N5O3S/c1-17-24(23-16-38-26(31-23)32-10-12-37-13-11-32)25(35)34(15-22(30)18-6-3-2-4-7-18)27(36)33(17)14-19-20(28)8-5-9-21(19)29/h2-9,16,22H,10-15,30H2,1H3/t22-/m0/s1
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| InChIKey |
RIAQKEQOLFAILW-QFIPXVFZSA-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