General Information of the Compound
| Compound ID |
CP0528651
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| Compound Name |
1-(3-Cyano-phenyl)-3-(2-{2-[4-(4-fluoro-benzyl)-piperidin-1-yl]-ethyl}-phenyl)-urea
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| Structure |
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| Formula |
C28H29FN4O
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| Molecular Weight |
456.565
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| Canonical SMILES |
Fc1ccc(CC2CCN(CCc3ccccc3NC(=O)Nc3cccc(c3)C#N)CC2)cc1
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| InChI |
InChI=1S/C28H29FN4O/c29-25-10-8-21(9-11-25)18-22-12-15-33(16-13-22)17-14-24-5-1-2-7-27(24)32-28(34)31-26-6-3-4-23(19-26)20-30/h1-11,19,22H,12-18H2,(H2,31,32,34)
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| InChIKey |
MRUIMWWIINYUKF-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