General Information of the Compound
| Compound ID |
CP0231032
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| Compound Name |
N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide
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| Synonyms |
BDBM50337958
CHEMBL1684242
GTPL6400
N-cyclobutyl-6-((3-fluorophenyl)ethynyl)nicotinamide
NCGC00379106-01
SCHEMBL19411346
VU-0360172
VU0360172
ZINC66138253
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| Structure |
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| Formula |
C18H15FN2O
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| Molecular Weight |
294.329
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| Canonical SMILES |
Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1
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| InChI |
InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)
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| InChIKey |
NEMHWVUKNWAKTM-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
Clinical Information about the Compound