General Information of the Compound
| Compound ID |
CP0460869
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| Compound Name |
3-((S)-2-Benzylamino-propyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H28F3N3O3
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| Molecular Weight |
523.555
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCc2ccccc2)c1=O
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| InChI |
InChI=1S/C29H28F3N3O3/c1-18(33-15-20-9-5-4-6-10-20)16-35-28(36)26(21-11-7-14-25(38-3)27(21)32)19(2)34(29(35)37)17-22-23(30)12-8-13-24(22)31/h4-14,18,33H,15-17H2,1-3H3/t18-/m0/s1
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| InChIKey |
OGZRDFCFZJLDGT-SFHVURJKSA-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