General Information of the Compound
| Compound ID |
CP0544514
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| Compound Name |
2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
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| Structure |
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| Formula |
C25H23FN6O
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| Molecular Weight |
442.498
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| Canonical SMILES |
Fc1ccc(cc1)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H23FN6O/c26-21-9-7-19(8-10-21)22-17-32(24(29-22)20-5-2-1-3-6-20)18-23(33)30-13-15-31(16-14-30)25-27-11-4-12-28-25/h1-12,17H,13-16,18H2
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| InChIKey |
XKVCHZUUVZBEPR-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