General Information of the Compound
| Compound ID |
CP0400458
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| Compound Name |
3-nitro-2-[4-(3-phenylprop-2-ynylidene)piperidin-1-yl]pyridine
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| Structure |
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| Formula |
C19H17N3O2
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| Molecular Weight |
319.364
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| Canonical SMILES |
[O-][N+](=O)c1cccnc1N1CCC(CC1)=CC#Cc1ccccc1
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| InChI |
InChI=1S/C19H17N3O2/c23-22(24)18-10-5-13-20-19(18)21-14-11-17(12-15-21)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-10,13H,11-12,14-15H2
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| InChIKey |
YATZGLPZEVHKJR-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