General Information of the Compound
| Compound ID |
CP0538582
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| Compound Name |
1-[3-(2-benzylphenoxy)propyl]piperidine
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| Structure |
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| Formula |
C21H27NO
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| Molecular Weight |
309.453
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| Canonical SMILES |
C(COc1ccccc1Cc1ccccc1)CN1CCCCC1
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| InChI |
InChI=1S/C21H27NO/c1-3-10-19(11-4-1)18-20-12-5-6-13-21(20)23-17-9-16-22-14-7-2-8-15-22/h1,3-6,10-13H,2,7-9,14-18H2
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| InChIKey |
LCTURVVSMLZEIM-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