General Information of the Compound
| Compound ID |
CP0534566
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| Compound Name |
2-[4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl]-5-phenylpyridine-3-carbonitrile
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| Structure |
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| Formula |
C26H22N4
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| Molecular Weight |
390.49
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)c1ncc(cc1C#N)-c1ccccc1
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| InChI |
InChI=1S/C26H22N4/c1-20-7-5-11-25(29-20)12-6-8-21-13-15-30(16-14-21)26-23(18-27)17-24(19-28-26)22-9-3-2-4-10-22/h2-5,7-11,17,19H,13-16H2,1H3
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| InChIKey |
RLYBUNYSHBYSGB-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