General Information of the Compound
| Compound ID |
CP0535698
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| Compound Name |
1-(2,6-Difluoro-benzyl)-3-[(S)-2-(2-fluoro-benzylamino)-1-methyl-ethyl]-5-(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(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@@H](C)CNCc2ccccc2F)c1=O
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| InChI |
InChI=1S/C29H28F3N3O3/c1-18(15-33-16-21-8-4-5-11-24(21)30)35-28(36)27(20-9-6-10-22(14-20)38-3)19(2)34(29(35)37)17-23-25(31)12-7-13-26(23)32/h4-14,18,33H,15-17H2,1-3H3/t18-/m0/s1
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| InChIKey |
VUIUYLRWRNMOSS-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