General Information of the Compound
| Compound ID |
CP0432211
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| Compound Name |
5-(2,2-Difluoro-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 |
C29H26F4N4O4
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| Molecular Weight |
570.543
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c(-c2ccc3OC(F)(F)Oc3c2)c(C)n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C29H26F4N4O4/c1-18-26(19-9-10-24-25(16-19)41-29(32,33)40-24)27(38)36(15-14-35(2)13-11-20-6-3-4-12-34-20)28(39)37(18)17-21-22(30)7-5-8-23(21)31/h3-10,12,16H,11,13-15,17H2,1-2H3
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| InChIKey |
GTKRATWSXSFSLO-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