General Information of the Compound
| Compound ID |
CP0439214
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| Compound Name |
N,N-diethyl-4-[4-(piperidin-1-ylmethyl)phenyl]but-3-yn-1-amine
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| Structure |
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| Formula |
C20H30N2
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| Molecular Weight |
298.474
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| Canonical SMILES |
CCN(CC)CCC#Cc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C20H30N2/c1-3-21(4-2)15-9-6-10-19-11-13-20(14-12-19)18-22-16-7-5-8-17-22/h11-14H,3-5,7-9,15-18H2,1-2H3
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| InChIKey |
PTFIENMCHFMYSY-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