General Information of the Compound
| Compound ID |
CP0460310
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| Compound Name |
1-{2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-hydroxymethyl-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 |
OCc1cccc(NC(=O)Nc2ccccc2)c1CN1CCC(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C27H30FN3O2/c28-23-11-9-20(10-12-23)17-21-13-15-31(16-14-21)18-25-22(19-32)5-4-8-26(25)30-27(33)29-24-6-2-1-3-7-24/h1-12,21,32H,13-19H2,(H2,29,30,33)
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| InChIKey |
ONPWEDRTDHCKDY-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