General Information of the Compound
| Compound ID |
CP0416423
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(3-isopropyl-phenyl)-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 |
C31H34F2N4O2
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| Molecular Weight |
532.635
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| Canonical SMILES |
CC(C)c1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
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| InChI |
InChI=1S/C31H34F2N4O2/c1-21(2)23-9-7-10-24(19-23)29-22(3)37(20-26-27(32)12-8-13-28(26)33)31(39)36(30(29)38)18-17-35(4)16-14-25-11-5-6-15-34-25/h5-13,15,19,21H,14,16-18,20H2,1-4H3
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| InChIKey |
QJZBHXNXKAYBKF-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