General Information of the Compound
| Compound ID |
CP0514497
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| Compound Name |
N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine
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| Structure |
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| Formula |
C18H26N2
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| Molecular Weight |
270.42
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| Canonical SMILES |
CN(C)Cc1ccc(cc1)C#CCCN1CCCCC1
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| InChI |
InChI=1S/C18H26N2/c1-19(2)16-18-11-9-17(10-12-18)8-4-7-15-20-13-5-3-6-14-20/h9-12H,3,5-7,13-16H2,1-2H3
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| InChIKey |
BRNCNUHXAAXCET-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