General Information of the Compound
| Compound ID |
CP0478888
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| Compound Name |
1-[3-[4-[3-(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)-c1cccc(CN2CCCCC2)c1)CN1CCCCC1
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| InChI |
InChI=1S/C26H36N2O/c1-3-15-27(16-4-1)19-8-20-29-26-13-11-24(12-14-26)25-10-7-9-23(21-25)22-28-17-5-2-6-18-28/h7,9-14,21H,1-6,8,15-20,22H2
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| InChIKey |
LICGJXJKGKUTSY-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