General Information of the Compound
| Compound ID |
CP0545393
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| Compound Name |
1-[4-(6-ethenyl-3-nitropyridin-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
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| Structure |
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| Formula |
C20H18N4O3
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| Molecular Weight |
362.389
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| Canonical SMILES |
[O-][N+](=O)c1ccc(C=C)nc1N1CCN(CC1)C(=O)C#Cc1ccccc1
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| InChI |
InChI=1S/C20H18N4O3/c1-2-17-9-10-18(24(26)27)20(21-17)23-14-12-22(13-15-23)19(25)11-8-16-6-4-3-5-7-16/h2-7,9-10H,1,12-15H2
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| InChIKey |
VXFCYUAFWNPAHK-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