General Information of the Compound
| Compound ID |
CP0555831
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| Compound Name |
1-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine
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| Structure |
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| Formula |
C26H36N2O
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| Molecular Weight |
392.587
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| Canonical SMILES |
C(COc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1)CN1CCCCC1
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| InChI |
InChI=1S/C26H36N2O/c1-3-16-27(17-4-1)20-7-21-29-26-14-12-25(13-15-26)24-10-8-23(9-11-24)22-28-18-5-2-6-19-28/h8-15H,1-7,16-22H2
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| InChIKey |
YHEPGTQKCQTSEA-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