General Information of the Compound
| Compound ID |
CP0552470
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| Compound Name |
3-methyl-1-[7-[4-(2-methylbutan-2-yl)phenoxy]heptyl]piperidine;oxalic acid
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| Structure |
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| Formula |
C26H43NO5
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| Molecular Weight |
449.632
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| Canonical SMILES |
OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCN2CCCC(C)C2)cc1
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| InChI |
InChI=1S/C24H41NO.C2H2O4/c1-5-24(3,4)22-13-15-23(16-14-22)26-19-10-8-6-7-9-17-25-18-11-12-21(2)20-25;3-1(4)2(5)6/h13-16,21H,5-12,17-20H2,1-4H3;(H,3,4)(H,5,6)
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| InChIKey |
VARIHEUBAPERRM-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