General Information of the Compound
| Compound ID |
CP0459736
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| Compound Name |
N-butyl-4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidine-1-carboxamide
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| Structure |
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| Formula |
C19H25N3O
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| Molecular Weight |
311.429
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| Canonical SMILES |
CCCCNC(=O)N1CCC(CC1)=CC#Cc1cccc(C)n1
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| InChI |
InChI=1S/C19H25N3O/c1-3-4-13-20-19(23)22-14-11-17(12-15-22)8-6-10-18-9-5-7-16(2)21-18/h5,7-9H,3-4,11-15H2,1-2H3,(H,20,23)
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| InChIKey |
QKWCZSGLFMPQJG-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