General Information of the Compound
| Compound ID |
CP0276324
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| Compound Name |
1-(2,6-difluoro-benzyl)-5-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-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 |
C30H30F2N4O4
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| Molecular Weight |
548.59
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C30H30F2N4O4/c1-20-28(21-9-10-26-27(18-21)40-17-16-39-26)29(37)35(15-14-34(2)13-11-22-6-3-4-12-33-22)30(38)36(20)19-23-24(31)7-5-8-25(23)32/h3-10,12,18H,11,13-17,19H2,1-2H3
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| InChIKey |
GZMLKXHBHQOVMH-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