General Information of the Compound
| Compound ID |
CP0227869
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| Compound Name |
3-methyl-1-[5-[4-(2-methylbutan-2-yl)phenoxy]pentyl]piperidine;oxalic acid
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| Structure |
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| Formula |
C24H39NO5
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| Molecular Weight |
421.578
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| Canonical SMILES |
OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCC(C)C2)cc1
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| InChI |
InChI=1S/C22H37NO.C2H2O4/c1-5-22(3,4)20-11-13-21(14-12-20)24-17-8-6-7-15-23-16-9-10-19(2)18-23;3-1(4)2(5)6/h11-14,19H,5-10,15-18H2,1-4H3;(H,3,4)(H,5,6)
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| InChIKey |
CMSUCVOXVXHHGC-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