General Information of the Compound
| Compound ID |
CP0524418
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| Compound Name |
1-(2,6-Difluoro-benzyl)-3-(3-methoxy-phenyl)-5-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C27H27F2N5O4
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| Molecular Weight |
523.54
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| Canonical SMILES |
COc1cccc(c1)-n1c(=O)n(CCN(C)CCc2ccccn2)c(=O)n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C27H27F2N5O4/c1-31(14-12-19-7-3-4-13-30-19)15-16-32-25(35)33(18-22-23(28)10-6-11-24(22)29)27(37)34(26(32)36)20-8-5-9-21(17-20)38-2/h3-11,13,17H,12,14-16,18H2,1-2H3
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| InChIKey |
ZNPRQFIYELNZSZ-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