General Information of the Compound
| Compound ID |
CP0377732
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| Compound Name |
1-Benzyl-4-(2-phenylethynyl-pyrrol-1-yl)-piperidine
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| Structure |
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| Formula |
C24H24N2
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| Molecular Weight |
340.47
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| Canonical SMILES |
C(N1CCC(CC1)n1cccc1C#Cc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C24H24N2/c1-3-8-21(9-4-1)13-14-23-12-7-17-26(23)24-15-18-25(19-16-24)20-22-10-5-2-6-11-22/h1-12,17,24H,15-16,18-20H2
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| InChIKey |
LGKGAIBCFWVOCC-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