General Information of the Compound
| Compound ID |
CP0503477
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| Compound Name |
4-Butyl-1-[3-(phenylpropoxy)propyl]piperidine
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| Synonyms |
4-Butyl-1-[3-(phenylpropoxy)propyl]piperidine
CHEMBL460309
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| Structure |
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| Formula |
C21H35NO
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| Molecular Weight |
317.517
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| Canonical SMILES |
CCCCC1CCN(CCCOCCCc2ccccc2)CC1
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| InChI |
InChI=1S/C21H35NO/c1-2-3-9-21-13-16-22(17-14-21)15-8-19-23-18-7-12-20-10-5-4-6-11-20/h4-6,10-11,21H,2-3,7-9,12-19H2,1H3
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| InChIKey |
OFZZAFXTRYWAHX-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
Clinical Information about the Compound