General Information of the Compound
| Compound ID |
CP0387044
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| Compound Name |
2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
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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 |
CCC(C)(C)c1ccc(OCCCN2C(C)CCCC2C)cc1
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| InChI |
InChI=1S/C21H35NO/c1-6-21(4,5)19-11-13-20(14-12-19)23-16-8-15-22-17(2)9-7-10-18(22)3/h11-14,17-18H,6-10,15-16H2,1-5H3
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| InChIKey |
HVBQQFJIXGEUPB-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