General Information of the Compound
| Compound ID |
CP0504663
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| Compound Name |
4,4-difluoro-1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
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| Structure |
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| Formula |
C28H38F2N2O2
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| Molecular Weight |
472.62
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| Canonical SMILES |
FC1(F)CCN(CCCOc2ccc(cc2)-c2ccc(OCCCN3CCCCC3)cc2)CC1
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| InChI |
InChI=1S/C28H38F2N2O2/c29-28(30)14-20-32(21-15-28)19-5-23-34-27-12-8-25(9-13-27)24-6-10-26(11-7-24)33-22-4-18-31-16-2-1-3-17-31/h6-13H,1-5,14-23H2
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| InChIKey |
OBQIIHKBRJTTBN-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