General Information of the Compound
| Compound ID |
CP0410805
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| Compound Name |
1-[4-(2-nitrophenyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
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| Structure |
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| Formula |
C19H17N3O3
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| Molecular Weight |
335.363
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)C#Cc1ccccc1
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| InChI |
InChI=1S/C19H17N3O3/c23-19(11-10-16-6-2-1-3-7-16)21-14-12-20(13-15-21)17-8-4-5-9-18(17)22(24)25/h1-9H,12-15H2
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| InChIKey |
VNVSYPPNINVFFU-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