General Information of the Compound
| Compound ID |
CP0673695
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| Compound Name |
N-{[5-(3-(1-Benzylpiperidin-4-yl)propoxy)-1-methyl-1Hindol-2-yl]methyl}-N-methylprop-2-yn-1-amine
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| Synonyms |
ASS-234
ASS234
BDBM153654
BDBM50359391
CHEMBL1929421
GTPL7369
N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine
SCHEMBL6847307
US8999994, 6
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| Structure |
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| Formula |
C29H37N3O
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| Molecular Weight |
443.635
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| Canonical SMILES |
C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
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| InChI |
InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3
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| InChIKey |
ADCBAOTWERXLAP-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
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1
Protein ID: PT05156, Vesicular acetylcholine transporter
Clinical Information about the Compound
Drug 1 ( ASS234 )
| Drug Name | ASS234 | ||
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