General Information of the Compound
| Compound ID |
CP0412986
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| Compound Name |
2-[3-[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]prop-1-ynyl]-6-methylpyridine
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| Structure |
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| Formula |
C21H28N2O2S
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| Molecular Weight |
372.534
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)S(=O)(=O)CC1CCCCC1
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| InChI |
InChI=1S/C21H28N2O2S/c1-18-7-5-11-21(22-18)12-6-10-19-13-15-23(16-14-19)26(24,25)17-20-8-3-2-4-9-20/h5,7,10-11,20H,2-4,8-9,13-17H2,1H3
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| InChIKey |
BKTNVFHODQILHH-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