General Information of the Compound
| Compound ID |
CP0509666
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| Compound Name |
1-(3-Acetyl-phenyl)-3-[2-(4-fluoro-benzyl)-piperidin-1-yl]-urea
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| Structure |
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| Formula |
C21H24FN3O2
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| Molecular Weight |
369.44
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)NN2CCCCC2Cc2ccc(F)cc2)c1
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| InChI |
InChI=1S/C21H24FN3O2/c1-15(26)17-5-4-6-19(14-17)23-21(27)24-25-12-3-2-7-20(25)13-16-8-10-18(22)11-9-16/h4-6,8-11,14,20H,2-3,7,12-13H2,1H3,(H2,23,24,27)
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| InChIKey |
SOEZEWJTMGDYDZ-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