General Information of the Compound
| Compound ID |
CP0398537
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| Compound Name |
4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine
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| Structure |
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| Formula |
C20H28N2O
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| Molecular Weight |
312.457
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| Canonical SMILES |
C(CN1CCCCC1)C#Cc1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C20H28N2O/c1-3-11-21(12-4-1)13-5-2-6-19-7-9-20(10-8-19)18-22-14-16-23-17-15-22/h7-10H,1,3-5,11-18H2
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| InChIKey |
QTHFIFDZWPIKFW-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