General Information of the Compound
| Compound ID |
CP0399382
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-3-((R)-2-isopropylamino-4-methyl-pentyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C28H34F3N3O3
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| Molecular Weight |
517.592
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](CC(C)C)NC(C)C)c1=O
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| InChI |
InChI=1S/C28H34F3N3O3/c1-16(2)13-19(32-17(3)4)14-34-27(35)25(20-9-7-12-24(37-6)26(20)31)18(5)33(28(34)36)15-21-22(29)10-8-11-23(21)30/h7-12,16-17,19,32H,13-15H2,1-6H3/t19-/m1/s1
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| InChIKey |
XZWAJSUMTYXTCC-LJQANCHMSA-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