General Information of the Compound
| Compound ID |
CP0498981
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| Compound Name |
3-chloro-5-[3-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]prop-1-ynyl]benzonitrile
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| Structure |
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| Formula |
C20H15ClN4O2
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| Molecular Weight |
378.819
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| Canonical SMILES |
[O-][N+](=O)c1cccnc1N1CCC(CC1)=CC#Cc1cc(Cl)cc(c1)C#N
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| InChI |
InChI=1S/C20H15ClN4O2/c21-18-12-16(11-17(13-18)14-22)4-1-3-15-6-9-24(10-7-15)20-19(25(26)27)5-2-8-23-20/h2-3,5,8,11-13H,6-7,9-10H2
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| InChIKey |
WJXUZADENOKCTO-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