General Information of the Compound
| Compound ID |
CP0376469
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| Compound Name |
1-(3-Acetyl-phenyl)-3-{2-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-phenyl}-urea
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| Structure |
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| Formula |
C28H30FN3O2
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| Molecular Weight |
459.565
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)Nc2ccccc2CN2CCC(Cc3ccc(F)cc3)CC2)c1
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| InChI |
InChI=1S/C28H30FN3O2/c1-20(33)23-6-4-7-26(18-23)30-28(34)31-27-8-3-2-5-24(27)19-32-15-13-22(14-16-32)17-21-9-11-25(29)12-10-21/h2-12,18,22H,13-17,19H2,1H3,(H2,30,31,34)
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| InChIKey |
GFGVSPYXQBYZOT-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