General Information of the Compound
| Compound ID |
CP0410803
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| Compound Name |
2-[4-[3-(3-methylphenyl)prop-2-ynylidene]piperidin-1-yl]-3-nitropyridine
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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(c1)C#CC=C1CCN(CC1)c1ncccc1[N+]([O-])=O
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| InChI |
InChI=1S/C20H19N3O2/c1-16-5-2-7-18(15-16)8-3-6-17-10-13-22(14-11-17)20-19(23(24)25)9-4-12-21-20/h2,4-7,9,12,15H,10-11,13-14H2,1H3
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| InChIKey |
ZBOXIAVGEVOBKQ-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