General Information of the Compound
| Compound ID |
CP0541729
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-ethylamino-thiazol-4-yl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C25H25F2N5O2S
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| Molecular Weight |
497.571
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| Canonical SMILES |
CCNc1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
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| InChI |
InChI=1S/C25H25F2N5O2S/c1-3-29-24-30-21(14-35-24)22-15(2)31(12-17-18(26)10-7-11-19(17)27)25(34)32(23(22)33)13-20(28)16-8-5-4-6-9-16/h4-11,14,20H,3,12-13,28H2,1-2H3,(H,29,30)/t20-/m0/s1
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| InChIKey |
RGNMFHPLISZYLE-FQEVSTJZSA-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