General Information of the Compound
| Compound ID |
CP0481795
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| Compound Name |
N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine
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| Structure |
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| Formula |
C20H34N2O
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| Molecular Weight |
318.505
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| Canonical SMILES |
CCC(C)(C)c1ccc(COC2CCN(CCNC)CC2)cc1
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| InChI |
InChI=1S/C20H34N2O/c1-5-20(2,3)18-8-6-17(7-9-18)16-23-19-10-13-22(14-11-19)15-12-21-4/h6-9,19,21H,5,10-16H2,1-4H3
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| InChIKey |
MJBSRPRJLFEYAZ-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