General Information of the Compound
| Compound ID |
CP0471521
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| Compound Name |
1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
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| Structure |
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| Formula |
C28H40N2O2
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| Molecular Weight |
436.64
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| Canonical SMILES |
C(COc1ccc(cc1)-c1ccc(OCCCN2CCCCC2)cc1)CN1CCCCC1
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| InChI |
InChI=1S/C28H40N2O2/c1-3-17-29(18-4-1)21-7-23-31-27-13-9-25(10-14-27)26-11-15-28(16-12-26)32-24-8-22-30-19-5-2-6-20-30/h9-16H,1-8,17-24H2
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| InChIKey |
BJFLXZBZOOYWHR-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