General Information of the Compound
| Compound ID |
CP0469565
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| Compound Name |
1-Benzyl-4-(2-trimethylsilanylethynyl-pyrrol-1-yl)-piperidine
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| Structure |
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| Formula |
C21H28N2Si
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| Molecular Weight |
336.555
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| Canonical SMILES |
C[Si](C)(C)C#Cc1cccn1C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H28N2Si/c1-24(2,3)17-13-20-10-7-14-23(20)21-11-15-22(16-12-21)18-19-8-5-4-6-9-19/h4-10,14,21H,11-12,15-16,18H2,1-3H3
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| InChIKey |
KUZDNSHRAHWGBG-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor