General Information of the Compound
| Compound ID |
CP0168550
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| Compound Name |
(3E)-N-methyl-3-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C18H23N3O
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| Molecular Weight |
297.402
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| Canonical SMILES |
CC(C)N(C)C(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
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| InChI |
InChI=1S/C18H23N3O/c1-14(2)20(4)18(22)21-12-11-16(13-21)8-6-10-17-9-5-7-15(3)19-17/h5,7-9,14H,11-13H2,1-4H3/b16-8+
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| InChIKey |
IYTQXIHFMMOOJL-LZYBPNLTSA-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