General Information of the Compound
| Compound ID |
CP0544513
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| Compound Name |
2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
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| Structure |
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| Formula |
C27H28N6O2
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| Molecular Weight |
468.561
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| Canonical SMILES |
COc1cc(ccc1C)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H28N6O2/c1-20-9-10-22(17-24(20)35-2)23-18-33(26(30-23)21-7-4-3-5-8-21)19-25(34)31-13-15-32(16-14-31)27-28-11-6-12-29-27/h3-12,17-18H,13-16,19H2,1-2H3
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| InChIKey |
VMYVWVWJLLTZFE-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