General Information of the Compound
| Compound ID |
CP0911981
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| Compound Name |
N-tert-butyl-5-((3-fluorophenyl)ethynyl)picolinamide
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| Structure |
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| Formula |
C18H17FN2O
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| Molecular Weight |
296.345
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccc(C#Cc2cccc(F)c2)cn1
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| InChI |
InChI=1S/C18H17FN2O/c1-18(2,3)21-17(22)16-10-9-14(12-20-16)8-7-13-5-4-6-15(19)11-13/h4-6,9-12H,1-3H3,(H,21,22)
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| InChIKey |
JLWSPMKXIJPOLG-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