General Information of the Compound
| Compound ID |
CP0528853
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| Compound Name |
1-(2,6-Difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-5-(4-vinyl-phenyl)-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H30F2N4O2
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| Molecular Weight |
516.592
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc(C=C)cc1
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| InChI |
InChI=1S/C30H30F2N4O2/c1-4-22-11-13-23(14-12-22)28-21(2)36(20-25-26(31)9-7-10-27(25)32)30(38)35(29(28)37)19-18-34(3)17-15-24-8-5-6-16-33-24/h4-14,16H,1,15,17-20H2,2-3H3
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| InChIKey |
UGLFKYQXIPZTIE-UHFFFAOYSA-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