General Information of the Compound
| Compound ID |
CP0448934
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| Compound Name |
2-methyl-6-[3-[1-(2-nitrophenyl)piperidin-4-ylidene]prop-1-ynyl]pyridine
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| Structure |
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| Formula |
C20H19N3O2
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| Molecular Weight |
333.391
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)c1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C20H19N3O2/c1-16-6-4-8-18(21-16)9-5-7-17-12-14-22(15-13-17)19-10-2-3-11-20(19)23(24)25/h2-4,6-8,10-11H,12-15H2,1H3
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| InChIKey |
GTADKUQSONAGQH-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