General Information of the Compound
| Compound ID |
CP0540908
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| Compound Name |
1-(2-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydroxy-ethyl}-phenyl)-3-phenyl-urea
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| Structure |
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| Formula |
C27H30FN3O2
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| Molecular Weight |
447.554
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| Canonical SMILES |
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccccc1NC(=O)Nc1ccccc1
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| InChI |
InChI=1S/C27H30FN3O2/c28-22-12-10-20(11-13-22)18-21-14-16-31(17-15-21)19-26(32)24-8-4-5-9-25(24)30-27(33)29-23-6-2-1-3-7-23/h1-13,21,26,32H,14-19H2,(H2,29,30,33)
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| InChIKey |
VXKVMPBIMSJSTA-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