General Information of the Compound
| Compound ID |
CP0496377
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| Compound Name |
2-(4-fluorophenyl)-N-[2-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]phenyl]acetamide
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| Structure |
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| Formula |
C28H30F2N2O
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| Molecular Weight |
448.557
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| Canonical SMILES |
Fc1ccc(CC2CCN(CCc3ccccc3NC(=O)Cc3ccc(F)cc3)CC2)cc1
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| InChI |
InChI=1S/C28H30F2N2O/c29-25-9-5-21(6-10-25)19-23-13-16-32(17-14-23)18-15-24-3-1-2-4-27(24)31-28(33)20-22-7-11-26(30)12-8-22/h1-12,23H,13-20H2,(H,31,33)
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| InChIKey |
SQRHRTSZOOXWRY-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