General Information of the Compound
| Compound ID |
CP0381952
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| Compound Name |
N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1H-indol-2-yl]methyl]prop-2-yn-1-amine
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| Structure |
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| Formula |
C27H33N3O
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| Molecular Weight |
415.581
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| Canonical SMILES |
C#CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
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| InChI |
InChI=1S/C27H33N3O/c1-2-14-28-20-25-18-24-19-26(10-11-27(24)29-25)31-17-6-9-22-12-15-30(16-13-22)21-23-7-4-3-5-8-23/h1,3-5,7-8,10-11,18-19,22,28-29H,6,9,12-17,20-21H2
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| InChIKey |
PVAHNJQQAFBHBW-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
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT00826, Cholinesterase