General Information of the Compound
| Compound ID |
CP0488095
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| Compound Name |
6-methyl-2-[(3Z)-3-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl]-3-nitropyridine
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| Structure |
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| Formula |
C20H20N4O2
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| Molecular Weight |
348.406
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| Canonical SMILES |
Cc1cccc(n1)C#C\C=C1\CCCN(C1)c1nc(C)ccc1[N+]([O-])=O
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| InChI |
InChI=1S/C20H20N4O2/c1-15-6-3-9-18(21-15)10-4-7-17-8-5-13-23(14-17)20-19(24(25)26)12-11-16(2)22-20/h3,6-7,9,11-12H,5,8,13-14H2,1-2H3/b17-7-
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| InChIKey |
NQDVPJBFJIXQOL-IDUWFGFVSA-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