General Information of the Compound
| Compound ID |
CP0555493
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| Compound Name |
2-[4-[[(4Z)-4-[(4-bromophenyl)methylidene]-2-butyl-5-oxoimidazol-1-yl]methyl]phenyl]benzonitrile
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| Structure |
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| Formula |
C28H24BrN3O
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| Molecular Weight |
498.424
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| Canonical SMILES |
CCCCC1=N\C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C#N
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| InChI |
InChI=1S/C28H24BrN3O/c1-2-3-8-27-31-26(17-20-11-15-24(29)16-12-20)28(33)32(27)19-21-9-13-22(14-10-21)25-7-5-4-6-23(25)18-30/h4-7,9-17H,2-3,8,19H2,1H3/b26-17-
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| InChIKey |
NJUBDLXLPWXLRT-ONUIUJJFSA-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