General Information of the Compound
| Compound ID |
CP0555840
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| Compound Name |
1-[3-[4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]phenoxy]propyl]piperidine
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| Structure |
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| Formula |
C29H42N2O2
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| Molecular Weight |
450.667
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| Canonical SMILES |
C(COc1ccc(Cc2ccc(OCCCN3CCCCC3)cc2)cc1)CN1CCCCC1
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| InChI |
InChI=1S/C29H42N2O2/c1-3-17-30(18-4-1)21-7-23-32-28-13-9-26(10-14-28)25-27-11-15-29(16-12-27)33-24-8-22-31-19-5-2-6-20-31/h9-16H,1-8,17-25H2
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| InChIKey |
DJQPPCKJISCIND-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