General Information of the Compound
| Compound ID |
CP0419790
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| Compound Name |
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C27H27FN6O2
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| Molecular Weight |
486.551
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| Canonical SMILES |
COc1cnc(nc1)N1CCN(CC1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
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| InChI |
InChI=1S/C27H27FN6O2/c1-19-14-21(8-9-23(19)28)24-17-34(26(31-24)20-6-4-3-5-7-20)18-25(35)32-10-12-33(13-11-32)27-29-15-22(36-2)16-30-27/h3-9,14-17H,10-13,18H2,1-2H3
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| InChIKey |
QEOALCGEBYTHSG-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