General Information of the Compound
| Compound ID |
CP0440308
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| Compound Name |
3,3-dimethyl-1-[4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C20H26N2O
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| Molecular Weight |
310.441
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)C(=O)CC(C)(C)C
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| InChI |
InChI=1S/C20H26N2O/c1-16-7-5-9-18(21-16)10-6-8-17-11-13-22(14-12-17)19(23)15-20(2,3)4/h5,7-9H,11-15H2,1-4H3
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| InChIKey |
HKQCSOHYRBSTFD-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