General Information of the Compound
| Compound ID |
CP0513670
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| Compound Name |
N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]-3-phenoxybenzamide
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| Structure |
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| Formula |
C29H27FN2O2
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| Molecular Weight |
454.545
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| Canonical SMILES |
Fc1ccc2cc(CN3CCC(CC3)NC(=O)c3cccc(Oc4ccccc4)c3)ccc2c1
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| InChI |
InChI=1S/C29H27FN2O2/c30-25-12-11-22-17-21(9-10-23(22)18-25)20-32-15-13-26(14-16-32)31-29(33)24-5-4-8-28(19-24)34-27-6-2-1-3-7-27/h1-12,17-19,26H,13-16,20H2,(H,31,33)
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| InChIKey |
PXGIQYNLHCMNIF-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