General Information of the Compound
| Compound ID |
CP0073517
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| Compound Name |
6-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridin-3-ylamine
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| Structure |
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| Formula |
C20H21N3
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| Molecular Weight |
303.409
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| Canonical SMILES |
Nc1ccc(nc1)C#CCCN1CCC(=CC1)c1ccccc1
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| InChI |
InChI=1S/C20H21N3/c21-19-9-10-20(22-16-19)8-4-5-13-23-14-11-18(12-15-23)17-6-2-1-3-7-17/h1-3,6-7,9-11,16H,5,12-15,21H2
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| InChIKey |
LPLZFZAIOWVRTJ-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: PT00957, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor