General Information of the Compound
| Compound ID |
CP0495891
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| Compound Name |
1-{2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-phenyl}-3-phenyl-urea
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| Structure |
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| Formula |
C26H28FN3O
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| Molecular Weight |
417.528
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| Canonical SMILES |
Fc1ccc(CC2CCN(Cc3ccccc3NC(=O)Nc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C26H28FN3O/c27-23-12-10-20(11-13-23)18-21-14-16-30(17-15-21)19-22-6-4-5-9-25(22)29-26(31)28-24-7-2-1-3-8-24/h1-13,21H,14-19H2,(H2,28,29,31)
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| InChIKey |
TZAOOVVJBARAQB-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