General Information of the Compound
| Compound ID |
CP0504665
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| Compound Name |
1-(2,6-Difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-5-(3,4,5-trimethoxy-phenyl)-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H34F2N4O5
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| Molecular Weight |
580.632
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
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| InChI |
InChI=1S/C31H34F2N4O5/c1-20-28(21-17-26(40-3)29(42-5)27(18-21)41-4)30(38)36(16-15-35(2)14-12-22-9-6-7-13-34-22)31(39)37(20)19-23-24(32)10-8-11-25(23)33/h6-11,13,17-18H,12,14-16,19H2,1-5H3
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| InChIKey |
USRSWONXSYDVGX-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