General Information of the Compound
| Compound ID |
CP0542570
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| Compound Name |
4-methyl-1-[5-(3-phenylphenoxy)pentyl]piperidine;oxalic acid
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| Structure |
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| Formula |
C25H33NO5
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| Molecular Weight |
427.541
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| Canonical SMILES |
OC(=O)C(O)=O.CC1CCN(CCCCCOc2cccc(c2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C23H31NO.C2H2O4/c1-20-13-16-24(17-14-20)15-6-3-7-18-25-23-12-8-11-22(19-23)21-9-4-2-5-10-21;3-1(4)2(5)6/h2,4-5,8-12,19-20H,3,6-7,13-18H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
YUCZZCMZAQFPHO-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