General Information of the Compound
| Compound ID |
CP0551924
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| Compound Name |
4-methyl-1-[6-(3-phenylphenoxy)hexyl]piperidine;oxalic acid
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| Structure |
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| Formula |
C26H35NO5
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| Molecular Weight |
441.568
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| Canonical SMILES |
OC(=O)C(O)=O.CC1CCN(CCCCCCOc2cccc(c2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C24H33NO.C2H2O4/c1-21-14-17-25(18-15-21)16-7-2-3-8-19-26-24-13-9-12-23(20-24)22-10-5-4-6-11-22;3-1(4)2(5)6/h4-6,9-13,20-21H,2-3,7-8,14-19H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
DVKYHQJEXIPNCG-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