General Information of the Compound
| Compound ID |
CP0443965
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| Compound Name |
3,5-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(OCCCN2CC(C)CC(C)C2)cc1
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| InChI |
InChI=1S/C21H35NO/c1-6-21(4,5)19-8-10-20(11-9-19)23-13-7-12-22-15-17(2)14-18(3)16-22/h8-11,17-18H,6-7,12-16H2,1-5H3
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| InChIKey |
XTWSHHZAQQBXPI-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