General Information of the Compound
| Compound ID |
CP0266590
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| Compound Name |
5-Benzo[1,3]dioxol-5-yl-1-(2,6-difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H28F2N4O4
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| Molecular Weight |
534.563
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C29H28F2N4O4/c1-19-27(20-9-10-25-26(16-20)39-18-38-25)28(36)34(15-14-33(2)13-11-21-6-3-4-12-32-21)29(37)35(19)17-22-23(30)7-5-8-24(22)31/h3-10,12,16H,11,13-15,17-18H2,1-2H3
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| InChIKey |
MSDRULHMRPKHSG-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