General Information of the Compound
| Compound ID |
CP0410806
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| Compound Name |
1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
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| Structure |
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| Formula |
C18H16N4O3
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| Molecular Weight |
336.351
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| Canonical SMILES |
[O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
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| InChI |
InChI=1S/C18H16N4O3/c23-17(9-8-15-5-2-1-3-6-15)20-11-13-21(14-12-20)18-16(22(24)25)7-4-10-19-18/h1-7,10H,11-14H2
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| InChIKey |
GBLQNGDWYYUAAX-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5