General Information of the Compound
| Compound ID |
CP0545233
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| Compound Name |
3-[4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-2-oxopiperazin-1-yl]benzonitrile
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| Structure |
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| Formula |
C29H23F2N5O2
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| Molecular Weight |
511.532
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| Canonical SMILES |
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(C(=O)C2)c2cccc(c2)C#N)c(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C29H23F2N5O2/c1-19-13-22(7-10-25(19)31)26-16-35(29(33-26)21-5-8-23(30)9-6-21)17-27(37)34-11-12-36(28(38)18-34)24-4-2-3-20(14-24)15-32/h2-10,13-14,16H,11-12,17-18H2,1H3
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| InChIKey |
NUMMYIGLOVCXMU-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