General Information of the Compound
| Compound ID |
CP0381788
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| Compound Name |
2-[4-[3-(3-chlorophenyl)prop-2-ynylidene]piperidin-1-yl]-3-nitropyridine
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| Structure |
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| Formula |
C19H16ClN3O2
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| Molecular Weight |
353.809
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| Canonical SMILES |
[O-][N+](=O)c1cccnc1N1CCC(CC1)=CC#Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C19H16ClN3O2/c20-17-7-2-6-16(14-17)5-1-4-15-9-12-22(13-10-15)19-18(23(24)25)8-3-11-21-19/h2-4,6-8,11,14H,9-10,12-13H2
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| InChIKey |
NTDNSTJWFZRSLJ-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