General Information of the Compound
| Compound ID |
CP0374646
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| Compound Name |
2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-N-methyl-3-(3-phenyl-ureido)-benzamide
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| Structure |
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| Formula |
C28H31FN4O2
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| Molecular Weight |
474.58
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| Canonical SMILES |
CNC(=O)c1cccc(NC(=O)Nc2ccccc2)c1CN1CCC(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C28H31FN4O2/c1-30-27(34)24-8-5-9-26(32-28(35)31-23-6-3-2-4-7-23)25(24)19-33-16-14-21(15-17-33)18-20-10-12-22(29)13-11-20/h2-13,21H,14-19H2,1H3,(H,30,34)(H2,31,32,35)
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| InChIKey |
HHTCJTLVUIKPEK-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